 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer01_STD_wB97XD_augccpVDZ.in
 Output=10_L-serine_conformer01_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-47462.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     47492.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer01_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer01_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.400902000000      0.606476000000      0.330203000000
  C                                                 0.023343000000      0.604862000000     -0.347509000000
  C                                                -0.733110000000     -0.696797000000     -0.043039000000
  O                                                -2.048935000000     -0.547476000000      0.094953000000
  O                                                 2.244705000000     -0.411378000000     -0.147633000000
  N                                                -0.823363000000      1.751312000000     -0.004429000000
  O                                                -0.187475000000     -1.769200000000      0.050668000000
  H                                                 0.182702000000      0.606179000000     -1.429434000000
  H                                                 1.891186000000      1.559018000000      0.119143000000
  H                                                 1.257893000000      0.539142000000      1.419890000000
  H                                                -2.208899000000      0.421463000000      0.023461000000
  H                                                -0.669033000000      2.051352000000      0.952422000000
  H                                                -0.651577000000      2.542659000000     -0.609638000000
  H                                                 1.748102000000     -1.241813000000     -0.066668000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.400902    0.606476    0.330203
      2          6           0        0.023343    0.604862   -0.347509
      3          6           0       -0.733110   -0.696797   -0.043039
      4          8           0       -2.048935   -0.547476    0.094953
      5          8           0        2.244705   -0.411378   -0.147633
      6          7           0       -0.823363    1.751312   -0.004429
      7          8           0       -0.187475   -1.769200    0.050668
      8          1           0        0.182702    0.606179   -1.429434
      9          1           0        1.891186    1.559018    0.119143
     10          1           0        1.257893    0.539142    1.419890
     11          1           0       -2.208899    0.421463    0.023461
     12          1           0       -0.669033    2.051352    0.952422
     13          1           0       -0.651577    2.542659   -0.609638
     14          1           0        1.748102   -1.241813   -0.066668
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.535241   0.000000
     3  C    2.528208   1.535982   0.000000
     4  O    3.645315   2.412051   1.331441   0.000000
     5  O    1.405830   2.450947   2.993290   4.302640   0.000000
     6  N    2.523882   1.465934   2.450076   2.606977   3.756431
     7  O    2.871396   2.416435   1.206875   2.227017   2.792580
     8  H    2.140171   1.093599   2.111528   2.938517   2.632545
     9  H    1.091907   2.148724   3.464381   4.467936   2.019556
    10  H    1.101092   2.156880   2.762571   3.724421   2.081926
    11  H    3.627531   2.270277   1.852804   0.984653   4.534036
    12  H    2.599895   2.064349   2.923589   3.064847   3.970520
    13  H    2.974017   2.068643   3.289644   3.463812   4.162719
    14  H    1.922037   2.542415   2.540475   3.863381   0.970975
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.577904   0.000000
     8  H    2.086657   2.823147   0.000000
     9  H    2.724156   3.924609   2.494977   0.000000
    10  H    2.798154   3.048327   3.046174   1.770071   0.000000
    11  H    1.920673   2.980923   2.804421   4.256041   3.739319
    12  H    1.014596   3.954956   2.913283   2.737055   2.493662
    13  H    1.010949   4.386744   2.262309   2.822112   3.432075
    14  H    3.946531   2.009568   2.778972   2.810632   2.371067
                   11         12         13         14
    11  H    0.000000
    12  H    2.427075   0.000000
    13  H    2.706573   1.637595   0.000000
    14  H    4.293305   4.210228   4.513923   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.69D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.400902    0.606476    0.330203
      2          6           0        0.023343    0.604862   -0.347509
      3          6           0       -0.733110   -0.696797   -0.043039
      4          8           0       -2.048935   -0.547476    0.094953
      5          8           0        2.244705   -0.411378   -0.147633
      6          7           0       -0.823363    1.751312   -0.004429
      7          8           0       -0.187475   -1.769200    0.050668
      8          1           0        0.182702    0.606179   -1.429434
      9          1           0        1.891186    1.559018    0.119143
     10          1           0        1.257893    0.539142    1.419890
     11          1           0       -2.208899    0.421463    0.023461
     12          1           0       -0.669033    2.051352    0.952422
     13          1           0       -0.651577    2.542659   -0.609638
     14          1           0        1.748102   -1.241813   -0.066668
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.6361596           2.3988948           1.5210373
 Leave Link  202 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       327.0913727460 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0066558244 Hartrees.
 Nuclear repulsion after empirical dispersion term =      327.0847169217 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:              17.2 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  2.08D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               2.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer01_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368591572 LenY=  5368534487
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.904642591772    
 DIIS: error= 2.22D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.904642591772     IErMin= 1 ErrMin= 2.22D-03
 ErrMax= 2.22D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.37D-03 BMatP= 6.37D-03
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.22D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.408 Goal=   None    Shift=    0.000
 GapD=    0.408 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.59D-03 MaxDP=1.36D-01              OVMax= 1.59D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.58D-03    CP:  9.86D-01
 E= -398.910048877644     Delta-E=       -0.005406285872 Rises=F Damp=F
 DIIS: error= 4.54D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.910048877644     IErMin= 2 ErrMin= 4.54D-04
 ErrMax= 4.54D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-04 BMatP= 6.37D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.54D-03
 Coeff-Com: -0.393D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.392D-01 0.104D+01
 Gap=     0.374 Goal=   None    Shift=    0.000
 RMSDP=9.12D-04 MaxDP=3.86D-02 DE=-5.41D-03 OVMax= 4.77D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.27D-04    CP:  9.83D-01  1.13D+00
 E= -398.910189029384     Delta-E=       -0.000140151740 Rises=F Damp=F
 DIIS: error= 4.60D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -398.910189029384     IErMin= 2 ErrMin= 4.54D-04
 ErrMax= 4.60D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-04 BMatP= 1.60D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.60D-03
 Coeff-Com: -0.463D-01 0.531D+00 0.516D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.461D-01 0.528D+00 0.518D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.22D-04 MaxDP=5.59D-03 DE=-1.40D-04 OVMax= 1.68D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.88D-05    CP:  9.82D-01  1.15D+00  1.11D+00
 E= -398.910293873028     Delta-E=       -0.000104843643 Rises=F Damp=F
 DIIS: error= 4.74D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.910293873028     IErMin= 4 ErrMin= 4.74D-05
 ErrMax= 4.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.78D-06 BMatP= 1.51D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.156D-02-0.415D-01 0.630D-01 0.980D+00
 Coeff:     -0.156D-02-0.415D-01 0.630D-01 0.980D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=9.70D-05 MaxDP=5.09D-03 DE=-1.05D-04 OVMax= 7.96D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.26D-05    CP:  9.81D-01  1.15D+00  1.26D+00  1.20D+00
 E= -398.910298012439     Delta-E=       -0.000004139412 Rises=F Damp=F
 DIIS: error= 3.16D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.910298012439     IErMin= 5 ErrMin= 3.16D-05
 ErrMax= 3.16D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.45D-07 BMatP= 2.78D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.302D-02-0.577D-01-0.160D-01 0.407D+00 0.664D+00
 Coeff:      0.302D-02-0.577D-01-0.160D-01 0.407D+00 0.664D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.82D-05 MaxDP=9.20D-04 DE=-4.14D-06 OVMax= 2.68D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.91D-06    CP:  9.81D-01  1.15D+00  1.29D+00  1.27D+00  1.07D+00
 E= -398.910298660443     Delta-E=       -0.000000648004 Rises=F Damp=F
 DIIS: error= 1.09D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.910298660443     IErMin= 6 ErrMin= 1.09D-05
 ErrMax= 1.09D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.11D-08 BMatP= 6.45D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.151D-02-0.219D-01-0.118D-01 0.908D-01 0.290D+00 0.651D+00
 Coeff:      0.151D-02-0.219D-01-0.118D-01 0.908D-01 0.290D+00 0.651D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=4.32D-06 MaxDP=1.94D-04 DE=-6.48D-07 OVMax= 8.40D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.19D-06    CP:  9.81D-01  1.15D+00  1.29D+00  1.29D+00  1.14D+00
                    CP:  1.10D+00
 E= -398.910298728807     Delta-E=       -0.000000068364 Rises=F Damp=F
 DIIS: error= 4.51D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.910298728807     IErMin= 7 ErrMin= 4.51D-06
 ErrMax= 4.51D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-08 BMatP= 8.11D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.733D-04 0.129D-02-0.139D-02-0.399D-01-0.780D-03 0.293D+00
 Coeff-Com:  0.747D+00
 Coeff:      0.733D-04 0.129D-02-0.139D-02-0.399D-01-0.780D-03 0.293D+00
 Coeff:      0.747D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.98D-06 MaxDP=6.33D-05 DE=-6.84D-08 OVMax= 5.11D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.34D-07    CP:  9.81D-01  1.15D+00  1.29D+00  1.30D+00  1.17D+00
                    CP:  1.18D+00  1.02D+00
 E= -398.910298743058     Delta-E=       -0.000000014251 Rises=F Damp=F
 DIIS: error= 7.12D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.910298743058     IErMin= 8 ErrMin= 7.12D-07
 ErrMax= 7.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.54D-10 BMatP= 1.32D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.101D-03 0.221D-02 0.874D-03-0.190D-01-0.251D-01 0.152D-01
 Coeff-Com:  0.206D+00 0.820D+00
 Coeff:     -0.101D-03 0.221D-02 0.874D-03-0.190D-01-0.251D-01 0.152D-01
 Coeff:      0.206D+00 0.820D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=5.65D-07 MaxDP=2.03D-05 DE=-1.43D-08 OVMax= 1.24D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.14D-07    CP:  9.81D-01  1.15D+00  1.29D+00  1.30D+00  1.18D+00
                    CP:  1.20D+00  1.09D+00  1.13D+00
 E= -398.910298743883     Delta-E=       -0.000000000825 Rises=F Damp=F
 DIIS: error= 3.10D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.910298743883     IErMin= 9 ErrMin= 3.10D-07
 ErrMax= 3.10D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.71D-11 BMatP= 6.54D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.404D-04 0.658D-03 0.441D-03-0.341D-02-0.835D-02-0.204D-01
 Coeff-Com:  0.156D-01 0.292D+00 0.724D+00
 Coeff:     -0.404D-04 0.658D-03 0.441D-03-0.341D-02-0.835D-02-0.204D-01
 Coeff:      0.156D-01 0.292D+00 0.724D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.85D-07 MaxDP=9.37D-06 DE=-8.25D-10 OVMax= 3.82D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.39D-08    CP:  9.81D-01  1.15D+00  1.29D+00  1.30D+00  1.18D+00
                    CP:  1.20D+00  1.11D+00  1.20D+00  1.13D+00
 E= -398.910298743962     Delta-E=       -0.000000000079 Rises=F Damp=F
 DIIS: error= 1.05D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.910298743962     IErMin=10 ErrMin= 1.05D-07
 ErrMax= 1.05D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.36D-12 BMatP= 7.71D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.119D-05-0.668D-04 0.261D-04 0.137D-02 0.619D-03-0.987D-02
 Coeff-Com: -0.210D-01-0.194D-01 0.231D+00 0.817D+00
 Coeff:     -0.119D-05-0.668D-04 0.261D-04 0.137D-02 0.619D-03-0.987D-02
 Coeff:     -0.210D-01-0.194D-01 0.231D+00 0.817D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=8.19D-08 MaxDP=4.29D-06 DE=-7.87D-11 OVMax= 1.68D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.93D-08    CP:  9.81D-01  1.15D+00  1.29D+00  1.30D+00  1.18D+00
                    CP:  1.19D+00  1.11D+00  1.23D+00  1.24D+00  1.15D+00
 E= -398.910298743987     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 2.68D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -398.910298743987     IErMin=11 ErrMin= 2.68D-08
 ErrMax= 2.68D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.15D-13 BMatP= 9.36D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.361D-05-0.844D-04-0.389D-04 0.787D-03 0.111D-02-0.122D-02
 Coeff-Com: -0.707D-02-0.344D-01-0.161D-02 0.240D+00 0.803D+00
 Coeff:      0.361D-05-0.844D-04-0.389D-04 0.787D-03 0.111D-02-0.122D-02
 Coeff:     -0.707D-02-0.344D-01-0.161D-02 0.240D+00 0.803D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.42D-08 MaxDP=1.25D-06 DE=-2.54D-11 OVMax= 5.07D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.02D-08    CP:  9.81D-01  1.15D+00  1.29D+00  1.30D+00  1.18D+00
                    CP:  1.19D+00  1.11D+00  1.23D+00  1.28D+00  1.24D+00
                    CP:  1.13D+00
 E= -398.910298743969     Delta-E=        0.000000000018 Rises=F Damp=F
 DIIS: error= 9.26D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -398.910298743987     IErMin=12 ErrMin= 9.26D-09
 ErrMax= 9.26D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-13 BMatP= 8.15D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.143D-05-0.223D-04-0.181D-04 0.116D-03 0.322D-03 0.420D-03
 Coeff-Com: -0.170D-03-0.917D-02-0.242D-01-0.663D-02 0.263D+00 0.777D+00
 Coeff:      0.143D-05-0.223D-04-0.181D-04 0.116D-03 0.322D-03 0.420D-03
 Coeff:     -0.170D-03-0.917D-02-0.242D-01-0.663D-02 0.263D+00 0.777D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=5.04D-09 MaxDP=1.87D-07 DE= 1.81D-11 OVMax= 1.92D-07

 SCF Done:  E(RwB97XD) =  -398.910298744     A.U. after   12 cycles
            NFock= 12  Conv=0.50D-08     -V/T= 2.0060
 KE= 3.965386807250D+02 PE=-1.589332092666D+03 EE= 4.667983962750D+02
 Leave Link  502 at Fri Aug 13 10:48:44 2021, MaxMem=  5368709120 cpu:             744.5 elap:              93.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.47264741D+02

 Leave Link  801 at Fri Aug 13 10:48:44 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4334 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 2.31D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 1.89D-01 7.05D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 3.41D-02 3.76D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 2.47D-03 9.92D-03.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 1.19D-04 1.62D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 3.20D-06 2.51D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 1.09D-07 4.20D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 1.76D-09 6.77D-06.
     11 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 2.85D-11 1.10D-06.
      8 vectors produced by pass  9 Test12= 9.15D-14 8.33D-09 XBig12= 3.73D-13 1.10D-07.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.658255D+02
      2 -0.273758D+01  0.653241D+02
      3 -0.350272D+00  0.416617D+00  0.482690D+02
 Isotropic polarizability for W=    0.088559       59.81 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.142517D+01 -0.203638D+02 -0.413445D+01
      2   0.335920D+01  0.303798D+02 -0.420224D+00
      3  -0.193403D+01 -0.100160D+02  0.455468D+01
      4   0.191567D+02  0.645624D+01  0.593846D+01
      5   0.304680D+01  0.446385D+01  0.160798D+02
      6   0.201800D+01  0.237873D+01  0.324838D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.150890D+01 -0.243313D+01 -0.138395D+02
      2   0.709762D+00  0.249173D+01  0.855654D+01
      3   0.109486D+02  0.405854D+01 -0.123976D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.147460D+01  0.279896D+01 -0.424998D+02
      2  -0.718125D+01  0.392046D+01  0.180138D+02
      3   0.395205D+02 -0.309704D+01 -0.244585D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.257335D+00 -0.116945D+00  0.350307D+00
      2  -0.116945D+00 -0.394215D+00 -0.128917D+01
      3   0.350307D+00 -0.128917D+01 -0.120046D+00
 OR G Eigenvalues:    -1.5658     0.1423     1.1666  Iso=     0.0856
 Eigenvectors:
   (1)  -0.082502   0.733802   0.674335
   (2)   0.932473   0.295623  -0.207609
   (3)   0.351693  -0.611671   0.708640
 w=    0.088559 a.u., Optical Rotation Beta=      0.0856 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =       41.32 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 6.93D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.57D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 4.28D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 5.95D-02 4.08D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 9.29D-04 5.06D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 1.13D-05 6.71D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 1.14D-07 5.15D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 1.01D-09 4.07D-06.
     30 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 6.76D-12 3.10D-07.
     30 vectors produced by pass  7 Test12= 1.52D-14 2.78D-09 XBig12= 3.80D-14 2.32D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 1.81D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 1.81D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.78D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.658255D+02 -0.273758D+01 -0.350272D+00
      2  -0.273758D+01  0.653241D+02  0.416617D+00
      3  -0.350272D+00  0.416617D+00  0.482690D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.150890D+01 -0.243313D+01 -0.138395D+02
      2   0.709762D+00  0.249173D+01  0.855654D+01
      3   0.109486D+02  0.405854D+01 -0.123976D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.142517D+01 -0.203638D+02 -0.413445D+01
      2   0.335920D+01  0.303798D+02 -0.420224D+00
      3  -0.193403D+01 -0.100160D+02  0.455468D+01
      4   0.191567D+02  0.645624D+01  0.593846D+01
      5   0.304680D+01  0.446385D+01  0.160798D+02
      6   0.201800D+01  0.237873D+01  0.324838D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.319232D+01  0.902746D+00  0.185223D+01 -0.351354D+00 -0.499746D+01
      2   0.902746D+00 -0.230375D+01  0.669770D+00 -0.499746D+01 -0.405192D+01
      3   0.185223D+01  0.669770D+00  0.236172D+01 -0.151803D+00  0.853896D+00
                 6             7             8             9            10 
      1  -0.151803D+00  0.285148D+01  0.602408D-01  0.127169D+01 -0.378758D+01
      2   0.853896D+00  0.602408D-01  0.120131D+01 -0.106766D+01 -0.366860D+00
      3  -0.295652D+00  0.127169D+01 -0.106766D+01 -0.878904D+01 -0.132644D+01
                11            12            13            14            15 
      1  -0.366860D+00 -0.132644D+01 -0.138729D+01  0.359820D+01  0.224733D+00
      2   0.265426D+01  0.139958D-01  0.359820D+01  0.113931D+01 -0.114209D+00
      3   0.139958D-01 -0.154574D+01  0.224733D+00 -0.114209D+00  0.461704D+00
                16            17            18            19            20 
      1  -0.249938D+01  0.258758D+00 -0.121416D+01  0.783375D+00  0.217478D+00
      2   0.258758D+00 -0.192334D+00 -0.270609D+00  0.217478D+00 -0.488539D+01
      3  -0.121416D+01 -0.270609D+00  0.664871D+01  0.110050D-01  0.555254D-02
                21            22            23            24            25 
      1   0.110050D-01  0.249534D+01 -0.338333D+01 -0.738290D-01 -0.527731D+00
      2   0.555254D-02 -0.338333D+01  0.314391D+01 -0.427053D+00 -0.144263D+00
      3  -0.801865D+00 -0.738290D-01 -0.427053D+00  0.150122D+00 -0.419972D+00
                26            27            28            29            30 
      1  -0.144263D+00 -0.419972D+00 -0.731050D+01 -0.105771D+01  0.266233D+00
      2   0.355796D+00  0.125085D+00 -0.105771D+01  0.597574D+00 -0.190000D-01
      3   0.125085D+00 -0.561511D+00  0.266233D+00 -0.190000D-01 -0.103059D+01
                31            32            33            34            35 
      1  -0.335057D+01 -0.205055D+01  0.120229D+00  0.105188D+01  0.396579D+00
      2  -0.205055D+01 -0.557665D+01  0.291852D+00  0.396579D+00  0.425059D+00
      3   0.120229D+00  0.291852D+00 -0.198777D+00 -0.211283D+01 -0.153075D+00
                36            37            38            39            40 
      1  -0.211283D+01  0.760320D+01 -0.225429D+01 -0.110635D+01  0.698354D+00
      2  -0.153075D+00 -0.225429D+01  0.276599D+01 -0.811239D-01  0.440017D+01
      3   0.507264D+00 -0.110635D+01 -0.811239D-01  0.335683D+00 -0.107541D+00
                41            42            43            44            45 
      1   0.440017D+01 -0.107541D+00 -0.180906D+01  0.556697D+00  0.126813D+01
      2   0.950665D+00 -0.179527D+00  0.556697D+00 -0.832700D+00 -0.600769D+00
      3  -0.179527D+00  0.103486D+01  0.126813D+01 -0.600769D+00 -0.235625D+00
                46            47            48            49            50 
      1  -0.213508D+01  0.258528D+01  0.658972D+00  0.238838D+01 -0.308365D+01
      2   0.258528D+01 -0.313178D+01  0.316787D+00 -0.308365D+01 -0.200274D+01
      3   0.658972D+00  0.316787D+00 -0.847682D+00  0.268365D+00  0.918117D+00
                51            52            53            54            55 
      1   0.268365D+00  0.534873D+00  0.261015D+00 -0.894988D+00  0.434322D+01
      2   0.918117D+00  0.261015D+00  0.124771D+01 -0.240358D+01 -0.251018D+01
      3  -0.229717D+01 -0.894988D+00 -0.240358D+01 -0.350047D+01  0.129382D+00
                56            57            58            59            60 
      1  -0.251018D+01  0.129382D+00 -0.455282D+01  0.242524D+01  0.165159D-01
      2   0.261096D+01 -0.143227D+00  0.242524D+01 -0.119628D+02  0.372795D+00
      3  -0.143227D+00  0.134866D+01  0.165159D-01  0.372795D+00 -0.197273D+01
                61            62            63            64            65 
      1   0.407324D+00 -0.181696D+00  0.990868D+00  0.130499D+01  0.299587D+00
      2  -0.181696D+00  0.408295D+00 -0.294395D+01  0.299587D+00 -0.146160D+00
      3   0.990868D+00 -0.294395D+01  0.662118D+00 -0.101424D+01  0.252171D-01
                66            67            68            69            70 
      1  -0.101424D+01  0.213016D+00 -0.536166D+00 -0.286429D-01 -0.138339D+01
      2   0.252171D-01 -0.536166D+00  0.305859D+00 -0.986526D+00 -0.179911D-01
      3   0.127180D+01 -0.286429D-01 -0.986526D+00  0.149632D+00  0.659114D+00
                71            72            73            74            75 
      1  -0.179911D-01  0.659114D+00  0.287200D+01  0.202568D+01 -0.484171D+00
      2  -0.175709D+01  0.675306D+00  0.202568D+01  0.238637D+01 -0.149728D+00
      3   0.675306D+00 -0.826624D+01 -0.484171D+00 -0.149728D+00  0.550671D+00
                76            77            78            79            80 
      1   0.314709D+01  0.330745D+01  0.463635D-02 -0.109769D+01 -0.390071D+00
      2   0.330745D+01  0.672161D+01 -0.507373D+00 -0.390071D+00 -0.128621D+01
      3   0.463635D-02 -0.507373D+00  0.828484D+00  0.592359D+00  0.985292D+00
                81            82            83            84            85 
      1   0.592359D+00 -0.689530D+00  0.196945D+00  0.104402D+01 -0.311453D+00
      2   0.985292D+00  0.196945D+00  0.687808D-01 -0.330299D+00  0.465610D+00
      3   0.294641D+00  0.104402D+01 -0.330299D+00 -0.130445D+01 -0.519948D-01
                86            87            88            89            90 
      1   0.465610D+00 -0.519948D-01  0.171075D+01 -0.287409D+00  0.171794D+00
      2   0.369495D+00  0.102522D+01 -0.287409D+00  0.139593D+01  0.973417D+00
      3   0.102522D+01 -0.417095D+00  0.171794D+00  0.973417D+00  0.949626D+01
                91            92            93            94            95 
      1  -0.307288D+01  0.909306D+00 -0.130460D+00  0.343996D+01  0.321823D+00
      2   0.909306D+00 -0.851610D+00 -0.170991D-01  0.321823D+00  0.558316D+01
      3  -0.130460D+00 -0.170991D-01 -0.849576D+00 -0.248490D+00 -0.234619D+00
                96            97            98            99           100 
      1  -0.248490D+00 -0.252100D+00 -0.124416D+00 -0.809186D+00 -0.491439D+00
      2  -0.234619D+00 -0.124416D+00 -0.447009D+00  0.136878D+00 -0.517605D-01
      3   0.410066D+00 -0.809186D+00  0.136878D+00  0.422946D-02  0.120747D+00
               101           102           103           104           105 
      1  -0.517605D-01  0.120747D+00  0.157836D+00 -0.112489D+00 -0.267254D-01
      2   0.289472D+00  0.175403D+00 -0.112489D+00  0.213333D+01  0.138571D+01
      3   0.175403D+00  0.299963D+00 -0.267254D-01  0.138571D+01  0.151111D+01
               106           107           108           109           110 
      1   0.140093D+01 -0.266349D+00 -0.128810D-01 -0.367529D+00  0.257728D+00
      2  -0.266349D+00  0.316618D+01  0.278756D+01  0.257728D+00  0.735727D+00
      3  -0.128810D-01  0.278756D+01  0.588455D+01 -0.205890D+00 -0.312757D+00
               111           112           113           114           115 
      1  -0.205890D+00  0.894388D+00  0.179693D+00 -0.995190D-01 -0.920156D+00
      2  -0.312757D+00  0.179693D+00  0.777949D+01 -0.220404D+01 -0.284129D+00
      3   0.444301D+00 -0.995190D-01 -0.220404D+01  0.188436D+01  0.103927D+00
               116           117           118           119           120 
      1  -0.284129D+00  0.103927D+00 -0.224457D+01 -0.115395D+01  0.184965D+00
      2  -0.410433D+01  0.223398D+01 -0.115395D+01 -0.790430D+00 -0.153491D+00
      3   0.223398D+01 -0.193046D+01  0.184965D+00 -0.153491D+00 -0.232890D+00
               121           122           123           124           125 
      1  -0.348087D+01 -0.534526D+00  0.154066D+00  0.532267D+00  0.163035D+00
      2  -0.534526D+00 -0.453268D+01 -0.194243D+00  0.163035D+00  0.419385D+00
      3   0.154066D+00 -0.194243D+00 -0.124892D+01  0.406133D+00 -0.477865D+00
               126 
      1   0.406133D+00
      2  -0.477865D+00
      3  -0.214423D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.289261D+01 -0.277547D+01 -0.363342D+01 -0.241059D+01 -0.303659D+01
      2   0.395527D+01  0.137374D+01  0.359503D+01 -0.185260D+00  0.263840D+01
      3   0.478180D+01  0.460967D+01  0.108147D+01  0.110223D+02  0.559761D+00
                 6             7             8             9            10 
      1   0.564301D+00 -0.163652D+01  0.220250D+01  0.824787D+01  0.202638D+01
      2   0.122671D+01 -0.166986D+01 -0.133727D+01 -0.102569D+02 -0.808902D+00
      3  -0.177808D+01  0.222494D+01 -0.131065D+01  0.286772D+01 -0.293962D+01
                11            12            13            14            15 
      1  -0.670782D+00 -0.144003D+00 -0.274059D+01  0.775454D+00 -0.260075D+01
      2  -0.111030D+01  0.101747D+01  0.178247D+01  0.945459D+00  0.275764D+01
      3  -0.468002D+01 -0.129860D+01  0.369865D+00 -0.183643D+01  0.654903D+00
                16            17            18            19            20 
      1   0.100692D+01  0.375632D+01 -0.143497D+01  0.123037D+00  0.166230D+01
      2  -0.490178D+01  0.143248D+01  0.902298D+00 -0.566267D+00 -0.200280D+01
      3  -0.381692D+01  0.371182D+00 -0.893556D+00  0.922206D+00 -0.582585D+01
                21            22            23            24            25 
      1  -0.202516D+01  0.232346D+01  0.270435D+01  0.798389D+01  0.321484D+01
      2  -0.632555D+01 -0.271177D+01  0.424761D+00  0.502479D+00 -0.137466D+02
      3   0.148035D+01 -0.654695D+01  0.240245D+01 -0.109489D+01  0.393679D+01
                26            27            28            29            30 
      1   0.130584D+02 -0.249041D+01  0.548440D+00 -0.670094D-01 -0.231565D+00
      2  -0.469069D+01  0.202931D+01 -0.134455D+01 -0.344105D+00  0.836006D+01
      3  -0.767400D+00  0.927676D+00  0.313554D+01 -0.422227D+01 -0.292824D+00
                31            32            33            34            35 
      1  -0.690504D+00 -0.115010D+01 -0.330262D+01 -0.310051D+01 -0.402455D-01
      2   0.107122D+01 -0.588350D+00  0.232293D+01  0.309023D+01  0.331428D+01
      3   0.360823D+00 -0.207267D+02  0.897624D+00 -0.471833D+00  0.241732D+01
                36            37            38            39            40 
      1   0.649382D+00  0.463358D-02 -0.145281D+00  0.321733D+01  0.177567D+00
      2  -0.184038D+01 -0.235090D+01  0.132816D+01  0.583337D+01 -0.492759D-01
      3   0.121948D+01 -0.314366D+01 -0.171117D+02 -0.100889D+01 -0.122368D+02
                41            42            43            44            45 
      1  -0.152354D+01 -0.432875D+01 -0.346876D+00  0.380245D+01 -0.140022D+01
      2  -0.653696D+00 -0.477446D+00 -0.123795D+00 -0.889322D+00 -0.185452D+01
      3  -0.528466D+01  0.806836D+00  0.263991D+00  0.277924D+01  0.141251D+01
                46            47            48            49            50 
      1  -0.128515D+01  0.269612D+00  0.240448D+01  0.508151D+00 -0.496459D+01
      2  -0.124003D+01  0.161877D+01  0.649999D+01  0.591659D-01 -0.255555D+01
      3   0.848420D-01 -0.517860D+01  0.901061D+00  0.583577D+01 -0.891700D+01
                51            52            53            54            55 
      1   0.988119D+00  0.152429D+01  0.998248D+01  0.615507D+01 -0.235535D+00
      2   0.200085D+01 -0.110864D+01  0.401059D+01  0.424574D+01  0.388474D+00
      3   0.161878D+01  0.137705D+01  0.253687D+01 -0.530537D+01 -0.825428D+01
                56            57            58            59            60 
      1  -0.783230D+00  0.204099D+01  0.293516D+00  0.825419D+00 -0.108400D+02
      2   0.801971D+00  0.395004D+01 -0.123530D+00 -0.897538D+00 -0.114398D+01
      3   0.652156D+00 -0.565763D+00  0.171859D+02 -0.712541D+01  0.489617D+00
                61            62            63            64            65 
      1  -0.985460D+00 -0.177176D+01  0.182107D+01  0.342005D+00 -0.258493D+00
      2  -0.190770D+01  0.382504D+01 -0.520185D+00  0.118941D+01  0.224079D+00
      3  -0.261691D+01 -0.215035D+00 -0.360443D+01  0.770392D+00 -0.428936D+00
                66            67            68            69            70 
      1  -0.394581D+00  0.276031D+00 -0.358518D+00 -0.167590D+00 -0.666264D+00
      2   0.108163D+01 -0.255758D-01 -0.249490D+00 -0.376463D+00 -0.230014D+01
      3  -0.725712D+00  0.160089D+01 -0.226782D+00  0.732711D-01 -0.702179D+00
                71            72            73            74            75 
      1   0.273549D+01  0.412824D+01  0.160117D+01  0.146168D+01 -0.130840D+01
      2   0.473618D+00 -0.541924D+00 -0.122593D+01 -0.813771D+00  0.199689D+01
      3   0.333594D+00  0.112600D+00  0.192168D+00 -0.360144D+01 -0.314214D+00
                76            77            78            79            80 
      1   0.108551D+01  0.304669D+01 -0.349491D+01 -0.565998D+00 -0.417897D+00
      2  -0.310349D+00 -0.135101D+01  0.222741D+01  0.129106D+00  0.134247D+01
      3   0.432624D+00 -0.837097D+01  0.104854D+01 -0.128488D+01  0.171548D+01
                81            82            83            84            85 
      1   0.293970D+00 -0.529841D+00  0.167145D-01  0.929086D+00  0.222930D+00
      2   0.920423D-01  0.259083D+01 -0.835437D+00 -0.105162D+01 -0.127914D+00
      3  -0.838374D+00 -0.138954D+01 -0.661553D+00  0.114058D+01 -0.709118D-01
                86            87            88            89            90 
      1  -0.670680D+00  0.149990D+00 -0.183188D+00  0.366436D+01 -0.765717D+01
      2   0.126368D+01 -0.501261D+00 -0.466132D+01  0.169381D+01  0.130688D+02
      3  -0.226975D-01 -0.124564D+01  0.175145D+01 -0.240579D+01 -0.189536D+01
                91            92            93            94            95 
      1   0.332472D+00  0.177514D+00  0.122506D+01  0.107471D+00  0.132556D+01
      2   0.951624D-01 -0.103774D+00  0.113005D+01 -0.144265D+00  0.426633D+00
      3  -0.361554D+00 -0.329402D+01 -0.199517D+00  0.185922D+00  0.228111D+02
                96            97            98            99           100 
      1   0.118532D+01  0.486488D+00  0.261951D+01 -0.474987D-01 -0.260944D+00
      2  -0.209324D+01 -0.165198D+00 -0.116278D+01  0.322854D+00 -0.100970D+01
      3  -0.718182D+00  0.113943D+00 -0.171662D+01 -0.280059D+00 -0.839692D+00
               101           102           103           104           105 
      1   0.269749D+00 -0.844446D+00  0.329522D+00 -0.215244D+01 -0.395087D+01
      2  -0.572518D-01 -0.428639D+00 -0.523270D-01 -0.183087D+01 -0.196634D+01
      3  -0.780622D+00  0.137734D+00  0.805949D+00  0.198102D+01  0.135674D+01
               106           107           108           109           110 
      1  -0.330269D+00 -0.371090D+01 -0.117657D+02 -0.140555D+00  0.435885D+00
      2  -0.318266D+01 -0.313616D+01 -0.657137D+01  0.354826D+00  0.536069D+00
      3   0.356965D+01  0.251665D+01  0.317718D+01 -0.336737D+00  0.465035D+00
               111           112           113           114           115 
      1  -0.125833D+01 -0.294544D-01  0.366390D+01 -0.502888D+01 -0.298685D+00
      2  -0.404726D+00  0.905712D+00  0.304125D+01 -0.197994D+01 -0.135947D+01
      3  -0.628539D+00  0.435627D+01  0.859199D+01 -0.260005D+01 -0.339178D+01
               116           117           118           119           120 
      1  -0.327662D+01  0.396270D+01  0.366488D+00  0.406811D+00  0.229682D-01
      2  -0.279367D+01  0.157216D+01 -0.202699D+00 -0.407279D+00 -0.111849D+01
      3  -0.517880D+01  0.273251D+01  0.874658D+01  0.739335D+01  0.848098D-01
               121           122           123           124           125 
      1   0.721979D+00  0.130701D+01 -0.129273D+01  0.512802D+00  0.606944D-01
      2  -0.882963D-01 -0.613667D+00 -0.249934D+01 -0.100876D+01 -0.713566D+00
      3   0.961500D+01  0.147956D+02  0.315939D+00 -0.953321D+00 -0.107603D+01
               126 
      1  -0.254268D+00
      2  -0.473330D+00
      3   0.367466D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.160894D+01  0.113740D+01 -0.179946D+01  0.728323D+01 -0.594834D+01
      2  -0.330032D+01 -0.503898D+01 -0.423253D+01 -0.114494D+02 -0.975133D+01
      3   0.490925D+01  0.390158D+01  0.603198D+01  0.416613D+01  0.156997D+02
      4   0.367052D+01 -0.115118D+02  0.529113D+01 -0.192391D+02 -0.200630D+02
      5   0.799088D+01  0.120335D+01  0.235703D+01 -0.232362D+01  0.246840D+01
      6   0.388113D+01  0.337812D+01  0.729106D+01 -0.582904D+00 -0.597686D+00
                 6             7             8             9            10 
      1   0.156787D+01  0.606633D+01  0.198605D+01  0.164229D+02 -0.433168D+01
      2   0.424448D+01 -0.440570D+01  0.207332D+01  0.677344D+01  0.391221D+01
      3  -0.581235D+01 -0.166063D+01 -0.405937D+01 -0.231964D+02  0.419471D+00
      4   0.199276D+01  0.155854D+01  0.430332D+01 -0.263238D+01 -0.133446D+01
      5   0.323552D+01  0.294169D+01 -0.178191D+01 -0.166899D+02 -0.268426D+01
      6  -0.339465D+01  0.241324D+01 -0.670991D+00 -0.108524D+02 -0.289618D+01
                11            12            13            14            15 
      1  -0.679890D+01 -0.863036D+00  0.284348D+01 -0.770492D+00  0.147297D+01
      2   0.118359D+02  0.462366D+00  0.235432D+01  0.784985D+00 -0.187460D+00
      3  -0.503701D+01  0.400669D+00 -0.519779D+01 -0.144933D-01 -0.128551D+01
      4  -0.291890D+01 -0.341179D+01 -0.576308D+01  0.972039D+01  0.121016D+01
      5  -0.108093D+01 -0.176046D+01  0.920189D+00  0.133896D+01  0.350221D+01
      6  -0.958868D+00 -0.155974D+01  0.155257D+00 -0.359101D+00  0.139013D+00
                16            17            18            19            20 
      1  -0.133064D+01 -0.594141D+00  0.603846D+01 -0.151787D+02 -0.847577D+01
      2  -0.728819D+00 -0.545242D+01  0.939729D+01  0.920185D+01  0.112061D+02
      3   0.205945D+01  0.604656D+01 -0.154358D+02  0.597684D+01 -0.273033D+01
      4  -0.566938D+01 -0.153927D-01 -0.267361D+01  0.138446D+00  0.373572D+00
      5  -0.806334D+00 -0.129602D+01  0.571586D+01  0.132321D+01 -0.986233D+00
      6  -0.318804D+01 -0.234572D+00  0.806762D+01  0.291897D+00 -0.765796D+00
                21            22            23            24            25 
      1   0.845492D+00  0.224375D+01  0.221221D+02 -0.253980D+01  0.110005D+01
      2  -0.192067D+01 -0.580255D+00 -0.314351D+02 -0.589024D+00 -0.131834D+01
      3   0.107518D+01 -0.166349D+01  0.931300D+01  0.312883D+01  0.218294D+00
      4  -0.257316D+00 -0.932616D+01  0.375343D+01 -0.564489D+00  0.328029D+01
      5  -0.103436D+02 -0.690120D+00 -0.130409D+01  0.244624D+01  0.367227D+01
      6   0.447404D+01 -0.441807D+00 -0.428110D+00 -0.986708D+01 -0.288206D+00
                26            27            28            29            30 
      1  -0.484191D+01 -0.415307D+01  0.440946D+02  0.504343D+01 -0.140894D+01
      2   0.447155D+01 -0.751313D+01 -0.271543D+02 -0.264941D+01  0.165226D+01
      3   0.370356D+00  0.116662D+02 -0.169403D+02 -0.239402D+01 -0.243328D+00
      4   0.101168D+01  0.822136D+00  0.125339D+02  0.790136D+01  0.746581D+00
      5  -0.135707D+01  0.217709D+01 -0.198450D+01  0.726132D+00  0.161883D+02
      6   0.239341D+01  0.296073D+01  0.594634D+00  0.824450D+00  0.963521D+00
                31            32            33            34            35 
      1   0.110872D+02  0.474260D+01  0.449201D+00 -0.211255D+01  0.714566D+00
      2  -0.607919D+01 -0.106706D+00 -0.144970D-01  0.232468D+01  0.508714D+00
      3  -0.500803D+01 -0.463589D+01 -0.434704D+00 -0.212122D+00 -0.122328D+01
      4   0.158714D+02  0.174636D+02 -0.809826D+00 -0.546917D+00 -0.127443D+01
      5   0.743487D-01 -0.133262D+01  0.267425D+01  0.141643D+02  0.156285D+01
      6  -0.236885D+00 -0.583086D+00  0.602615D+01  0.391759D+01  0.462190D+01
                36            37            38            39            40 
      1   0.553135D+01  0.434783D+02 -0.551334D+01 -0.170378D+01 -0.304514D+01
      2  -0.770473D+01 -0.266220D+02  0.120917D-01  0.406013D+01  0.140839D+00
      3   0.217337D+01 -0.168563D+02  0.550125D+01 -0.235635D+01  0.290430D+01
      4   0.403381D+01 -0.122854D+02  0.153177D+02 -0.488719D+00  0.176830D+02
      5  -0.338955D+01 -0.563694D+01  0.254703D+00  0.111388D+02  0.858561D+00
      6  -0.882769D+00 -0.597649D+00 -0.102013D+01 -0.425390D+01  0.347037D-01
                41            42            43            44            45 
      1   0.110796D+02 -0.394412D+01 -0.724536D+01  0.340561D+00  0.153250D+01
      2  -0.323253D+01 -0.671903D+00  0.569356D+01  0.512381D+00 -0.787533D+01
      3  -0.784702D+01  0.461603D+01  0.155180D+01 -0.852941D+00  0.634283D+01
      4   0.487420D+00 -0.121357D+01  0.275884D+01 -0.318885D+01 -0.256198D+01
      5  -0.212467D+01 -0.133248D+01  0.122191D+02 -0.434148D+01 -0.448903D+01
      6   0.217336D+01  0.852865D+01 -0.222910D+01  0.456260D+01  0.254367D+01
                46            47            48            49            50 
      1   0.355319D+01  0.683547D+01 -0.192411D+01  0.527796D+00  0.104605D+02
      2   0.558243D+01 -0.124274D+02  0.166388D+01 -0.688531D+01 -0.881212D+01
      3  -0.913563D+01  0.559193D+01  0.260228D+00  0.635752D+01 -0.164836D+01
      4  -0.481180D+01  0.180426D+02  0.239744D+01  0.180606D+02 -0.896834D+01
      5  -0.461575D+00  0.113344D+01  0.720345D+01 -0.330098D+00 -0.291557D+01
      6   0.225822D+01  0.208336D+01 -0.547985D+01  0.708530D+00  0.755132D+01
                51            52            53            54            55 
      1  -0.161580D+01 -0.226633D+01 -0.259415D+01  0.113880D+02 -0.621718D+00
      2   0.678672D+01  0.122452D+01  0.885983D+01 -0.124445D+02  0.497649D+01
      3  -0.517092D+01  0.104182D+01 -0.626568D+01  0.105646D+01 -0.435477D+01
      4  -0.140203D+01  0.120846D+01 -0.249327D+01 -0.189210D+01 -0.662894D+01
      5   0.154049D+01  0.668131D+01  0.356701D+01  0.456153D+01  0.911383D-01
      6  -0.738701D+01 -0.365659D+01 -0.106139D+02 -0.129958D+02 -0.456926D+00
                56            57            58            59            60 
      1   0.756170D+01 -0.857125D+00  0.530329D+01 -0.393150D+02  0.888176D+00
      2  -0.108283D+02  0.450019D+00 -0.683355D+01  0.586971D+02 -0.558270D-01
      3   0.326658D+01  0.407106D+00  0.153026D+01 -0.193822D+02 -0.832349D+00
      4   0.130361D+02 -0.609959D+00  0.164192D+02  0.158609D+01  0.279382D+00
      5  -0.316238D+00  0.593441D+01 -0.237322D+00  0.644951D+00 -0.985625D+00
      6   0.607106D+00 -0.427822D+01  0.544352D+00 -0.136588D-01  0.175206D+02
                61            62            63            64            65 
      1   0.111886D+00  0.292383D+01 -0.969867D+01  0.888013D+00  0.733541D+00
      2   0.315548D+00 -0.213877D+01  0.781046D+01 -0.428326D+01 -0.104835D+01
      3  -0.427434D+00 -0.785056D+00  0.188821D+01  0.339525D+01  0.314805D+00
      4  -0.148864D+01 -0.965035D-01  0.520823D+00  0.104993D+01  0.211323D+01
      5   0.331410D+01  0.278065D+01 -0.105591D+00 -0.131565D+01 -0.273424D+00
      6  -0.318284D+01  0.159695D+02 -0.292617D+01 -0.145910D+01 -0.390506D+00
                66            67            68            69            70 
      1   0.854022D+00  0.443977D+00 -0.329257D+01  0.280269D+00  0.404253D+00
      2   0.161534D+01  0.324817D+00  0.673245D+00 -0.134650D+01  0.236174D+01
      3  -0.246936D+01 -0.768794D+00  0.261932D+01  0.106623D+01 -0.276599D+01
      4  -0.119080D+01  0.236746D+01  0.144310D+00 -0.541351D+00 -0.124779D+01
      5   0.688555D+01 -0.120033D+00 -0.116238D+01 -0.553958D+00  0.480169D+01
      6   0.140083D+01 -0.822245D+00 -0.897202D+00  0.614924D+01  0.121463D+01
                71            72            73            74            75 
      1   0.245783D+01 -0.158389D+02  0.108678D+02  0.555915D+01 -0.133965D+01
      2  -0.177209D+00 -0.160777D+02 -0.802095D+00  0.220277D+01 -0.771782D-01
      3  -0.228062D+01  0.319166D+02 -0.100658D+02 -0.776192D+01  0.141682D+01
      4   0.426043D+00  0.100702D+01  0.153682D+02  0.159067D+02 -0.130792D+01
      5   0.773825D+00 -0.450088D+01 -0.749425D+00  0.374854D-02  0.327135D+01
      6   0.529598D+01 -0.108654D+02 -0.598292D+00 -0.106213D+00  0.179867D+01
                76            77            78            79            80 
      1   0.556669D+01 -0.267074D+01  0.486609D+00 -0.285794D+01  0.832329D+00
      2   0.467911D+01  0.203320D+02 -0.200220D+01  0.713797D+00 -0.321033D+01
      3  -0.102458D+02 -0.176613D+02  0.151559D+01  0.214414D+01  0.237800D+01
      4   0.199807D+02  0.305426D+02 -0.205111D+01 -0.339929D+01 -0.481663D+01
      5   0.620135D+00 -0.880971D+00  0.365550D+01  0.365532D+01  0.413942D+01
      6   0.882443D+00  0.271183D+00  0.446175D+01  0.240440D+01  0.465760D+01
                81            82            83            84            85 
      1  -0.163520D+01 -0.191070D+01  0.133744D+01  0.598497D+01 -0.136198D+01
      2   0.200305D+00 -0.136804D+01  0.366147D+00 -0.143132D+01  0.185769D+01
      3   0.143490D+01  0.327874D+01 -0.170359D+01 -0.455365D+01 -0.495712D+00
      4   0.474137D+01  0.206889D+00  0.272086D+01  0.297793D+00  0.307843D+01
      5  -0.180234D+00  0.184839D+01 -0.775442D-01  0.384523D+01 -0.223418D+00
      6  -0.108595D+01  0.734344D+00 -0.154539D+01 -0.242080D+01 -0.108743D-02
                86            87            88            89            90 
      1  -0.169370D+01 -0.111771D+01  0.521942D+01 -0.388130D+01 -0.207823D+02
      2   0.166321D+00  0.179812D+01 -0.297413D+01  0.158333D+01 -0.155112D+02
      3   0.152738D+01 -0.680410D+00 -0.224529D+01  0.229797D+01  0.362934D+02
      4   0.234796D+01  0.228684D+01  0.135756D+01  0.351994D+01  0.407063D+01
      5   0.216881D+01 -0.135670D+01  0.598635D+01  0.237224D+01  0.223249D+02
      6   0.121145D+01  0.553191D+01  0.264156D+00  0.621276D+01  0.114474D+02
                91            92            93            94            95 
      1   0.120734D+02 -0.466916D+01  0.358751D+00 -0.152090D+02 -0.102444D+01
      2  -0.675763D+01  0.203135D+01 -0.304478D+00  0.101990D+02  0.850123D+00
      3  -0.531582D+01  0.263781D+01 -0.542728D-01  0.501003D+01  0.174322D+00
      4  -0.849917D+01  0.365639D+01 -0.407225D+00 -0.200129D+01 -0.158515D+02
      5   0.215678D+00  0.137797D-02  0.250076D+01  0.593256D+00  0.104050D+01
      6  -0.241074D+00 -0.194020D+00 -0.185510D+01 -0.319363D+00  0.673882D+00
                96            97            98            99           100 
      1   0.449923D+00  0.107534D+01  0.478548D+00  0.176912D+01  0.202551D+01
      2  -0.576478D+00 -0.694571D+00 -0.579055D+00 -0.250554D+01 -0.212897D+01
      3   0.126555D+00 -0.380764D+00  0.100507D+00  0.736415D+00  0.103458D+00
      4   0.250464D+00  0.417546D+00  0.104657D+01 -0.156806D+01 -0.181123D+01
      5  -0.311052D+01  0.432399D+01 -0.110305D+01  0.370359D+00  0.755280D+00
      6  -0.222174D+01 -0.732146D+00  0.795601D+00  0.134023D+00  0.579946D+00
               101           102           103           104           105 
      1  -0.142081D+01 -0.553395D+00 -0.406961D+00 -0.775100D+01 -0.454635D+01
      2   0.141001D+01  0.438742D-01  0.144198D+00  0.104535D+02  0.562360D+01
      3   0.108002D-01  0.509520D+00  0.262763D+00 -0.270250D+01 -0.107725D+01
      4   0.125100D+01  0.100013D+01  0.225928D+01 -0.186896D+01 -0.128081D+01
      5   0.554285D+00  0.174753D+01  0.362970D+00 -0.140319D+01 -0.246708D+01
      6   0.918920D+00  0.173125D+01 -0.873346D-01  0.774243D+01  0.101228D+02
               106           107           108           109           110 
      1  -0.653970D+00 -0.107848D+02 -0.133715D+02  0.121943D+01 -0.268667D+01
      2   0.170443D+00  0.109052D+02  0.451261D+01 -0.413340D+00  0.388694D+01
      3   0.483527D+00 -0.120396D+00  0.885885D+01 -0.806088D+00 -0.120027D+01
      4   0.436090D+01 -0.204053D+01 -0.103595D+01 -0.103734D+00  0.285444D+01
      5   0.162820D+01 -0.329098D+01 -0.730404D+01 -0.418253D+00 -0.678606D+00
      6   0.115969D+00  0.147486D+02  0.253974D+02 -0.167364D+01 -0.236053D+01
               111           112           113           114           115 
      1   0.111436D+01 -0.180117D+01 -0.238818D+02  0.726972D+01  0.157861D+01
      2  -0.154082D+01  0.132132D+01  0.395024D+02 -0.117505D+02 -0.150120D+01
      3   0.426452D+00  0.479856D+00 -0.156206D+02  0.448078D+01 -0.774086D-01
      4  -0.132346D+01  0.467062D+01 -0.639752D+01  0.185318D+01 -0.251609D+01
      5   0.110454D+01 -0.182737D+00  0.331232D+01 -0.248638D+01  0.117061D+01
      6   0.283873D+01 -0.233662D-01 -0.155139D+02  0.115233D+02  0.461561D+00
               116           117           118           119           120 
      1   0.129295D+02 -0.855838D+01 -0.678121D+01 -0.229358D+01  0.824859D+00
      2  -0.178124D+02  0.890152D+01  0.527323D+01  0.866151D+00 -0.207366D+00
      3   0.488287D+01 -0.343145D+00  0.150797D+01  0.142743D+01 -0.617493D+00
      4   0.254645D+01 -0.132997D+01 -0.230689D+00 -0.341909D+01 -0.319263D+00
      5  -0.302970D+01  0.209540D+01  0.675765D+00 -0.474349D-01 -0.180386D+01
      6   0.144377D+02 -0.108352D+02 -0.417307D+00 -0.470499D+00 -0.650500D+00
               121           122           123           124           125 
      1  -0.116501D+02 -0.560608D+01  0.621299D+00  0.114443D+01 -0.244660D+00
      2   0.715630D+01  0.897690D+01 -0.703033D+00 -0.948006D+00  0.178082D+00
      3   0.449382D+01 -0.337081D+01  0.817341D-01 -0.196420D+00  0.665780D-01
      4   0.176448D+01 -0.156340D+02 -0.359870D+00 -0.740200D-01  0.107159D+01
      5   0.677887D+00  0.149554D+00 -0.476146D+01  0.207293D+01 -0.173336D+01
      6  -0.160566D+00 -0.814264D+00  0.113607D+01 -0.252215D+00  0.314802D+01
               126 
      1  -0.823714D+00
      2  -0.142888D+00
      3   0.966602D+00
      4  -0.150174D+01
      5  -0.936244D+00
      6   0.309384D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:03:04 2021, MaxMem=  5368709120 cpu:            6865.5 elap:             859.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32337 -19.27114 -19.27079 -14.48545 -10.44248
 Alpha  occ. eigenvalues --  -10.36527 -10.36088  -1.22493  -1.14473  -1.12937
 Alpha  occ. eigenvalues --   -1.03646  -0.85710  -0.76679  -0.70988  -0.66058
 Alpha  occ. eigenvalues --   -0.61811  -0.60111  -0.58282  -0.55426  -0.54456
 Alpha  occ. eigenvalues --   -0.52788  -0.48658  -0.47653  -0.44480  -0.41739
 Alpha  occ. eigenvalues --   -0.40963  -0.37116  -0.35222
 Alpha virt. eigenvalues --    0.01980   0.04069   0.04832   0.05172   0.06559
 Alpha virt. eigenvalues --    0.07139   0.07633   0.08019   0.10465   0.10837
 Alpha virt. eigenvalues --    0.11217   0.13630   0.14000   0.14371   0.15041
 Alpha virt. eigenvalues --    0.15187   0.15849   0.16643   0.17127   0.18196
 Alpha virt. eigenvalues --    0.19226   0.19798   0.20054   0.21546   0.23068
 Alpha virt. eigenvalues --    0.24399   0.26098   0.26505   0.26510   0.27125
 Alpha virt. eigenvalues --    0.27675   0.28579   0.28752   0.29625   0.31140
 Alpha virt. eigenvalues --    0.31551   0.31892   0.32255   0.33296   0.34252
 Alpha virt. eigenvalues --    0.35934   0.36200   0.38291   0.38608   0.39403
 Alpha virt. eigenvalues --    0.40635   0.41635   0.42080   0.43178   0.44789
 Alpha virt. eigenvalues --    0.44924   0.45915   0.47742   0.48079   0.48465
 Alpha virt. eigenvalues --    0.49561   0.50263   0.51177   0.52141   0.54315
 Alpha virt. eigenvalues --    0.55466   0.57152   0.57571   0.59960   0.60770
 Alpha virt. eigenvalues --    0.62697   0.62927   0.63945   0.64530   0.66008
 Alpha virt. eigenvalues --    0.66392   0.67754   0.69276   0.70547   0.71332
 Alpha virt. eigenvalues --    0.71773   0.73567   0.74805   0.76704   0.78346
 Alpha virt. eigenvalues --    0.78638   0.81080   0.81226   0.83062   0.84465
 Alpha virt. eigenvalues --    0.85931   0.86859   0.87965   0.89985   0.93468
 Alpha virt. eigenvalues --    0.93819   0.95627   0.97646   1.00378   1.02160
 Alpha virt. eigenvalues --    1.02682   1.04068   1.06351   1.08022   1.10592
 Alpha virt. eigenvalues --    1.12395   1.13118   1.15631   1.15882   1.17507
 Alpha virt. eigenvalues --    1.18913   1.20618   1.23851   1.24522   1.27434
 Alpha virt. eigenvalues --    1.28892   1.30691   1.35043   1.36296   1.37747
 Alpha virt. eigenvalues --    1.39282   1.45517   1.46847   1.50139   1.52527
 Alpha virt. eigenvalues --    1.54145   1.56956   1.59627   1.61465   1.62403
 Alpha virt. eigenvalues --    1.63023   1.64256   1.69617   1.71948   1.74505
 Alpha virt. eigenvalues --    1.75375   1.79074   1.81558   1.82611   1.84091
 Alpha virt. eigenvalues --    1.86665   1.89661   1.91099   1.91698   1.94624
 Alpha virt. eigenvalues --    1.97175   2.01115   2.03090   2.06496   2.07865
 Alpha virt. eigenvalues --    2.10046   2.12394   2.13435   2.15339   2.18192
 Alpha virt. eigenvalues --    2.20967   2.23036   2.27143   2.27797   2.29900
 Alpha virt. eigenvalues --    2.30343   2.34074   2.36833   2.43061   2.43710
 Alpha virt. eigenvalues --    2.46456   2.49731   2.55216   2.57717   2.60429
 Alpha virt. eigenvalues --    2.62978   2.65583   2.67826   2.69973   2.77352
 Alpha virt. eigenvalues --    2.79464   2.82136   2.90140   2.94216   2.99508
 Alpha virt. eigenvalues --    3.07941   3.11103   3.18414   3.27956   3.35912
 Alpha virt. eigenvalues --    3.39432   3.43081   3.44696   3.47757   3.49555
 Alpha virt. eigenvalues --    3.51445   3.52217   3.55761   3.57911   3.65186
 Alpha virt. eigenvalues --    3.70357   3.74691   3.77299   3.86948   4.04348
 Alpha virt. eigenvalues --    4.08208
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.426579   0.410079  -0.246892   0.013244   0.017868  -0.046102
     2  C    0.410079   5.812688  -0.394979   0.072786   0.083983   0.112377
     3  C   -0.246892  -0.394979   5.766348  -0.087023  -0.003413  -0.048942
     4  O    0.013244   0.072786  -0.087023   8.342608  -0.005133  -0.044140
     5  O    0.017868   0.083983  -0.003413  -0.005133   8.293955  -0.021758
     6  N   -0.046102   0.112377  -0.048942  -0.044140  -0.021758   6.599619
     7  O    0.027020  -0.068667   0.419646  -0.131760  -0.026717  -0.007507
     8  H   -0.015959  -0.081285  -0.054333   0.004238   0.018045  -0.019511
     9  H    0.162130   0.094064  -0.027113   0.007952  -0.142856   0.013666
    10  H    0.198047  -0.099431   0.022355  -0.010079  -0.020071  -0.050838
    11  H   -0.005326  -0.081784  -0.064511   0.279688  -0.000403   0.065281
    12  H   -0.050924  -0.116559   0.034988  -0.003909  -0.000397   0.441454
    13  H   -0.009877   0.056210  -0.020994   0.001483   0.002327   0.335181
    14  H   -0.062006   0.027306  -0.042691   0.003668   0.311035   0.003607
               7          8          9         10         11         12
     1  C    0.027020  -0.015959   0.162130   0.198047  -0.005326  -0.050924
     2  C   -0.068667  -0.081285   0.094064  -0.099431  -0.081784  -0.116559
     3  C    0.419646  -0.054333  -0.027113   0.022355  -0.064511   0.034988
     4  O   -0.131760   0.004238   0.007952  -0.010079   0.279688  -0.003909
     5  O   -0.026717   0.018045  -0.142856  -0.020071  -0.000403  -0.000397
     6  N   -0.007507  -0.019511   0.013666  -0.050838   0.065281   0.441454
     7  O    8.249616  -0.001411   0.004227   0.012629   0.024323   0.002647
     8  H   -0.001411   1.430319  -0.120755   0.099097  -0.000895   0.021823
     9  H    0.004227  -0.120755   1.631634  -0.386032  -0.000926  -0.014142
    10  H    0.012629   0.099097  -0.386032   1.499533   0.000703   0.000499
    11  H    0.024323  -0.000895  -0.000926   0.000703   0.606606  -0.002304
    12  H    0.002647   0.021823  -0.014142   0.000499  -0.002304   0.793585
    13  H    0.000398  -0.092693   0.001536  -0.004577  -0.003320  -0.136411
    14  H    0.042821   0.001704   0.030334  -0.043932  -0.000093  -0.000552
              13         14
     1  C   -0.009877  -0.062006
     2  C    0.056210   0.027306
     3  C   -0.020994  -0.042691
     4  O    0.001483   0.003668
     5  O    0.002327   0.311035
     6  N    0.335181   0.003607
     7  O    0.000398   0.042821
     8  H   -0.092693   0.001704
     9  H    0.001536   0.030334
    10  H   -0.004577  -0.043932
    11  H   -0.003320  -0.000093
    12  H   -0.136411  -0.000552
    13  H    0.826272   0.000158
    14  H    0.000158   0.599253
 Mulliken charges:
               1
     1  C    1.182117
     2  C    0.173211
     3  C    0.747553
     4  O   -0.443622
     5  O   -0.506464
     6  N   -0.332387
     7  O   -0.547263
     8  H   -0.188382
     9  H   -0.253720
    10  H   -0.217903
    11  H    0.182961
    12  H    0.030203
    13  H    0.044308
    14  H    0.129388
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.710494
     2  C   -0.015171
     3  C    0.747553
     4  O   -0.260661
     5  O   -0.377076
     6  N   -0.257876
     7  O   -0.547263
 Electronic spatial extent (au):  <R**2>=            768.1909
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.9850    Y=              4.9902    Z=              0.0741  Tot=              5.0870
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -50.3148   YY=            -40.6445   ZZ=            -39.2957
   XY=             -2.2168   XZ=              1.3031   YZ=              0.3735
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.8964   YY=              2.7738   ZZ=              4.1226
   XY=             -2.2168   XZ=              1.3031   YZ=              0.3735
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -17.7933  YYY=             19.3997  ZZZ=              0.0311  XYY=              5.2669
  XXY=              5.4396  XXZ=              2.0203  XZZ=             -1.9983  YZZ=              2.5781
  YYZ=             -1.9720  XYZ=             -1.2085
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -567.2622 YYYY=           -332.5189 ZZZZ=            -64.3221 XXXY=             -5.1307
 XXXZ=              4.0636 YYYX=            -16.6801 YYYZ=             -3.3905 ZZZX=             -0.8768
 ZZZY=              0.2618 XXYY=           -141.2080 XXZZ=            -98.8318 YYZZ=            -63.1185
 XXYZ=              1.3431 YYXZ=             -1.5660 ZZXY=             -2.5361
 N-N= 3.270847169217D+02 E-N=-1.589332093459D+03  KE= 3.965386807250D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:03:05 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.90959536D-01 1.94418336D+00 2.27263548D-02
 Polarizability= 6.01322111D+01-2.53901543D+00 6.02053588D+01
                -4.55054546D-01 2.62461669D-01 4.38429111D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.1750    0.1751       -1.3684   -1.3688
 2     -0.1750   -0.1751       -0.2081   -0.2083       -0.2518   -0.2507
 3      1.3684    1.3688        8.7811    8.7783        0.2080    0.2083
 4      0.2081    0.2083       -0.0000    0.0000        1.3688    1.3688
 5     -8.5293   -8.5276       -1.3688   -1.3688        0.1746    0.1751
 6     -0.2080   -0.2083       -0.1746   -0.1751       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.5254   -0.5254       -4.1064   -4.1064
 2      0.6249    0.6249       -0.0000    0.0000       -4.1064   -4.1064
 3      0.6249    0.6249       -0.5254   -0.5254       -0.0000    0.0000
 4     -0.5254   -0.5254       -0.6249   -0.6249       -0.7522   -0.7522
 5      4.1064    4.1064       26.3349   26.3349        0.6249    0.6249
 6    -25.5827  -25.5827       -4.1064   -4.1064        0.5254    0.5254
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0627    0.0000       -0.9118   -0.7005        6.0393    5.4752
 2      0.5403    0.7005        0.8372    0.8332        1.2150    1.0029
 3     -5.4291   -5.4752      -35.2204  -35.1132       -0.7810   -0.8332
 4     -0.9547   -0.8332       -0.1514    0.0000       -5.3328   -5.4752
 5     34.2649   34.1102        5.3177    5.4752       -0.3671   -0.7005
 6      0.8487    0.8332        0.5841    0.7005        0.0108    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1154    0.0000       -2.9142   -2.8909        1.7822    1.7234
 2      2.6540    2.8909       12.9108   12.6151       -8.1978   -8.0013
 3     -1.7710   -1.7234        0.4134    0.5383      -14.6308  -12.6151
 4    -12.6414  -12.6151       -0.0338    0.0000       -2.0884   -1.7234
 5      7.0908    7.4630        1.8959    1.7234       -4.2972   -2.8909
 6     12.6848   12.6151        2.8692    2.8909        0.1050    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      5.2841    5.2932       13.3133   13.3272        0.7422    0.6681
 2     -9.7508   -9.6235       10.3048   10.3478        0.3869    0.6681
 3     -9.6811   -9.6235       13.2749   13.3272       -3.9099   -3.7142
 4      3.0416    2.9793       14.8580   14.9168      -11.1744  -10.7901
 5     -4.6287   -4.3823       -2.1878   -1.9425      -16.9576  -14.9168
 6     12.3707   12.7326        4.5252    4.3823       -5.1871   -2.9793
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.7733   -2.0204    0.0008    0.0010    0.0011    6.6203
 Low frequencies ---   69.3773  165.8638  234.5603
 Diagonal vibrational polarizability:
       29.7891697      20.8644254      19.0187297
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     69.3760               165.8634               234.5601
 Red. masses --      6.6043                 2.7109                 4.7811
 Frc consts  --      0.0187                 0.0439                 0.1550
 IR Inten    --      1.9471                 6.5801                10.1830
 RamAct Fr= 1--      0.5271                 0.0557                 0.2259
  Dep-P Fr= 1--      0.7423                 0.6644                 0.3662
  Dep-U Fr= 1--      0.8521                 0.7983                 0.5361
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0019
 Beta2  Fr= 1--      0.0749                 0.0074                 0.0202
 AlphaG Fr= 1--     -0.0009                 0.0005                 0.0028
 Gamma2 Fr= 1--     -0.0110                -0.1045                -0.1233
 Delta2 Fr= 1--     -0.0216                -0.0021                -0.0370
 Raman1 Fr= 1--       2.108                  0.223                  0.904
 ROA1   Fr= 1--      -1.748                -10.096                -13.023
 CID1   Fr= 1--      -0.829                -45.293                -14.411
 Raman2 Fr= 1--       0.898                  0.089                  0.242
 ROA2   Fr= 1--      -0.092                 -2.491                 -2.664
 CID2   Fr= 1--      -0.102                -27.996                -10.996
 Raman3 Fr= 1--       1.796                  0.178                  0.484
 ROA3   Fr= 1--      -1.748                -10.096                -13.023
 CID3   Fr= 1--      -0.973                -56.734                -26.882
 RC180  Fr= 1--       0.704                  0.597                  0.072
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03  -0.04    -0.05  -0.11   0.18     0.05   0.11  -0.15
     2   6    -0.00   0.01   0.09     0.02  -0.05   0.04    -0.01  -0.12  -0.03
     3   6    -0.01   0.01   0.06    -0.04  -0.01   0.02    -0.10  -0.07   0.01
     4   8    -0.06  -0.04  -0.37    -0.03   0.04   0.05    -0.10   0.08  -0.02
     5   8     0.01   0.01  -0.23     0.10   0.15  -0.14     0.26   0.17   0.09
     6   7     0.00  -0.01   0.16     0.02   0.00  -0.13     0.07  -0.09   0.09
     7   8     0.01   0.05   0.37    -0.06  -0.03   0.01    -0.22  -0.13  -0.02
     8   1    -0.09   0.06   0.07     0.17  -0.10   0.06    -0.15  -0.11  -0.05
     9   1     0.03  -0.01  -0.01    -0.13   0.01   0.54    -0.11   0.14  -0.38
    10   1     0.17  -0.13  -0.03    -0.11  -0.52   0.14     0.11   0.34  -0.12
    11   1    -0.09  -0.05  -0.42     0.00   0.04  -0.02     0.02   0.11   0.02
    12   1    -0.19  -0.24   0.26    -0.06   0.09  -0.14     0.13  -0.22   0.13
    13   1     0.21   0.12   0.38     0.09  -0.06  -0.19     0.13  -0.03   0.19
    14   1     0.08  -0.01  -0.06     0.28   0.04  -0.23     0.43   0.08   0.18
                      4                      5                      6
                      A                      A                      A
 Frequencies --    296.7783               332.5034               354.5344
 Red. masses --      1.3119                 3.7641                 2.5452
 Frc consts  --      0.0681                 0.2452                 0.1885
 IR Inten    --     15.4370                18.6141                14.7368
 RamAct Fr= 1--      0.4309                 0.5204                 0.9751
  Dep-P Fr= 1--      0.6837                 0.3189                 0.2895
  Dep-U Fr= 1--      0.8121                 0.4836                 0.4490
 Alpha2 Fr= 1--      0.0005                 0.0050                 0.0103
 Beta2  Fr= 1--      0.0583                 0.0419                 0.0730
 AlphaG Fr= 1--      0.0019                 0.0063                 0.0107
 Gamma2 Fr= 1--     -0.0093                 0.0426                -0.1876
 Delta2 Fr= 1--      0.0479                 0.0127                -0.1103
 Raman1 Fr= 1--       1.723                  2.081                  3.901
 ROA1   Fr= 1--       0.640                  4.491                -21.542
 CID1   Fr= 1--       0.371                  2.158                 -5.523
 Raman2 Fr= 1--       0.700                  0.503                  0.876
 ROA2   Fr= 1--      -0.606                  0.920                 -3.620
 CID2   Fr= 1--      -0.866                  1.828                 -4.135
 Raman3 Fr= 1--       1.400                  1.007                  1.751
 ROA3   Fr= 1--       0.640                  4.491                -21.542
 CID3   Fr= 1--       0.457                  4.462                -12.301
 RC180  Fr= 1--       0.624                 -0.033                 -0.102
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.02     0.08   0.08   0.05     0.11   0.09   0.03
     2   6    -0.01   0.01  -0.08     0.09  -0.01   0.06     0.02   0.01   0.19
     3   6    -0.00   0.03  -0.04     0.08  -0.02   0.01    -0.02  -0.01   0.11
     4   8     0.00   0.00   0.07     0.13   0.23  -0.01    -0.05  -0.11  -0.00
     5   8     0.03  -0.01   0.03    -0.08  -0.01  -0.05    -0.03  -0.01  -0.04
     6   7    -0.01  -0.01  -0.03    -0.20  -0.18  -0.04     0.03   0.10  -0.12
     7   8     0.02   0.05   0.01    -0.07  -0.11  -0.00    -0.04  -0.04  -0.10
     8   1    -0.01   0.05  -0.08     0.16   0.02   0.07     0.03  -0.15   0.19
     9   1    -0.02  -0.03   0.06     0.13   0.04  -0.02     0.09   0.04  -0.23
    10   1    -0.12  -0.08  -0.03     0.17   0.11   0.06     0.35   0.26   0.07
    11   1    -0.08  -0.03  -0.15     0.37   0.28  -0.13    -0.19  -0.16  -0.15
    12   1    -0.42  -0.48   0.18    -0.56  -0.28   0.05    -0.42  -0.01  -0.01
    13   1     0.48   0.24   0.43    -0.18  -0.06   0.12     0.52   0.12   0.05
    14   1     0.05  -0.02   0.00    -0.16   0.04  -0.01    -0.10   0.04   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    419.3471               548.9147               587.2677
 Red. masses --      4.7392                 4.5254                 1.7062
 Frc consts  --      0.4910                 0.8034                 0.3467
 IR Inten    --      3.5656                 4.9516                70.1023
 RamAct Fr= 1--      2.9517                 4.5599                 2.6968
  Dep-P Fr= 1--      0.4745                 0.0925                 0.7118
  Dep-U Fr= 1--      0.6436                 0.1694                 0.8317
 Alpha2 Fr= 1--      0.0163                 0.0813                 0.0018
 Beta2  Fr= 1--      0.3166                 0.1287                 0.3738
 AlphaG Fr= 1--      0.0079                -0.0272                 0.0012
 Gamma2 Fr= 1--      0.0962                 0.5112                -0.3664
 Delta2 Fr= 1--     -0.0729                 0.0975                -0.3040
 Raman1 Fr= 1--      11.807                 18.240                 10.787
 ROA1   Fr= 1--       6.908                 52.193                -44.906
 CID1   Fr= 1--       0.585                  2.861                 -4.163
 Raman2 Fr= 1--       3.800                  1.545                  4.486
 ROA2   Fr= 1--       2.893                 11.488                 -6.362
 CID2   Fr= 1--       0.761                  7.437                 -1.418
 Raman3 Fr= 1--       7.599                  3.089                  8.971
 ROA3   Fr= 1--       6.908                 52.193                -44.906
 CID3   Fr= 1--       0.909                 16.894                 -5.005
 RC180  Fr= 1--       0.287                 -0.661                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17  -0.12  -0.03    -0.11  -0.03  -0.02    -0.08  -0.06  -0.04
     2   6    -0.04   0.03   0.08    -0.07  -0.23   0.11    -0.09  -0.01   0.05
     3   6    -0.07   0.11   0.03    -0.06   0.03   0.16     0.04  -0.04   0.05
     4   8    -0.11   0.00   0.00    -0.07   0.15  -0.06     0.06   0.06  -0.02
     5   8     0.26  -0.14   0.03    -0.06   0.04   0.01     0.01  -0.01  -0.03
     6   7    -0.25  -0.05  -0.03     0.10  -0.17  -0.02    -0.04   0.11   0.00
     7   8     0.05   0.18  -0.05     0.22   0.15  -0.10     0.05  -0.05  -0.03
     8   1    -0.08   0.02   0.07    -0.14  -0.45   0.10    -0.17  -0.03   0.03
     9   1     0.18  -0.14  -0.08    -0.27   0.02  -0.23    -0.08  -0.06  -0.04
    10   1     0.25  -0.10  -0.02     0.02   0.14   0.01    -0.04  -0.07  -0.04
    11   1    -0.14   0.00   0.03     0.16   0.22  -0.00     0.14   0.08  -0.06
    12   1    -0.34   0.15  -0.08     0.13  -0.16  -0.03    -0.08   0.13   0.00
    13   1    -0.53  -0.10  -0.17     0.28  -0.22  -0.03     0.13   0.06  -0.01
    14   1     0.27  -0.14   0.02    -0.15   0.06  -0.28     0.43  -0.17   0.78
                     10                     11                     12
                      A                      A                      A
 Frequencies --    608.3009               742.7511               809.9999
 Red. masses --      1.8472                 4.6381                 3.3986
 Frc consts  --      0.4027                 1.5076                 1.3138
 IR Inten    --     55.4367                 7.3692                11.9337
 RamAct Fr= 1--      1.2694                 2.2774                 6.2192
  Dep-P Fr= 1--      0.5934                 0.0608                 0.0657
  Dep-U Fr= 1--      0.7448                 0.1145                 0.1232
 Alpha2 Fr= 1--      0.0037                 0.0438                 0.1183
 Beta2  Fr= 1--      0.1576                 0.0435                 0.1277
 AlphaG Fr= 1--     -0.0060                -0.0046                -0.0710
 Gamma2 Fr= 1--      0.1999                -0.3120                 0.0909
 Delta2 Fr= 1--      0.3788                 0.0929                 0.0874
 Raman1 Fr= 1--       5.078                  9.110                 24.877
 ROA1   Fr= 1--      31.315                -26.976                 11.525
 CID1   Fr= 1--       6.167                 -2.961                  0.463
 Raman2 Fr= 1--       1.891                  0.522                  1.533
 ROA2   Fr= 1--       1.769                 -8.230                  1.482
 CID2   Fr= 1--       0.935                -15.775                  0.967
 Raman3 Fr= 1--       3.782                  1.043                  3.066
 ROA3   Fr= 1--      31.315                -26.976                 11.525
 CID3   Fr= 1--       8.280                -25.853                  3.759
 RC180  Fr= 1--       0.490                 -0.771                 -0.754
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.04   0.06    -0.05  -0.01  -0.07    -0.10  -0.08  -0.01
     2   6     0.08  -0.02  -0.02     0.05   0.04  -0.08    -0.07  -0.10   0.15
     3   6    -0.03   0.05  -0.08     0.13   0.22   0.36     0.06   0.14  -0.18
     4   8    -0.06  -0.04   0.03     0.13  -0.10  -0.08     0.21  -0.05   0.02
     5   8    -0.08   0.02  -0.06    -0.01   0.01   0.01     0.02   0.01   0.00
     6   7     0.06  -0.12  -0.00     0.01  -0.10  -0.01    -0.02  -0.03   0.02
     7   8    -0.01   0.08  -0.01    -0.18   0.05  -0.10    -0.14   0.10   0.04
     8   1     0.24   0.01   0.01    -0.28  -0.30  -0.13     0.11   0.03   0.17
     9   1     0.04   0.03  -0.00     0.08   0.01   0.33    -0.33  -0.07  -0.46
    10   1     0.12   0.06   0.07    -0.37  -0.26  -0.12     0.22   0.24   0.05
    11   1    -0.13  -0.05   0.04    -0.21  -0.17   0.08    -0.19  -0.16  -0.16
    12   1     0.07  -0.12  -0.01     0.10  -0.19   0.00     0.07   0.18  -0.06
    13   1    -0.11  -0.09  -0.00    -0.14  -0.01   0.07     0.28  -0.22  -0.15
    14   1     0.24  -0.07   0.85     0.07  -0.03   0.16     0.10  -0.05  -0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    847.2862               882.8782               996.1278
 Red. masses --      1.2732                 1.2175                 1.4783
 Frc consts  --      0.5385                 0.5591                 0.8642
 IR Inten    --    128.2856                81.4295                14.4389
 RamAct Fr= 1--      0.3782                 1.0715                 2.4706
  Dep-P Fr= 1--      0.7441                 0.5065                 0.3024
  Dep-U Fr= 1--      0.8533                 0.6725                 0.4644
 Alpha2 Fr= 1--      0.0000                 0.0051                 0.0252
 Beta2  Fr= 1--      0.0538                 0.1201                 0.1912
 AlphaG Fr= 1--     -0.0037                 0.0174                -0.0245
 Gamma2 Fr= 1--     -0.1082                -0.5853                -0.5318
 Delta2 Fr= 1--     -0.0423                -0.2551                -0.1592
 Raman1 Fr= 1--       1.513                  4.286                  9.882
 ROA1   Fr= 1--     -11.740                -64.355                -56.148
 CID1   Fr= 1--      -7.761                -15.016                 -5.682
 Raman2 Fr= 1--       0.645                  1.441                  2.294
 ROA2   Fr= 1--      -2.258                -12.007                -11.490
 CID2   Fr= 1--      -3.499                 -8.332                 -5.008
 Raman3 Fr= 1--       1.291                  2.882                  4.589
 ROA3   Fr= 1--     -11.740                -64.355                -56.148
 CID3   Fr= 1--      -9.096                -22.329                -12.236
 RC180  Fr= 1--       0.707                  0.345                 -0.071
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02   0.03    -0.05  -0.03  -0.02    -0.06  -0.07   0.09
     2   6    -0.00  -0.04  -0.03     0.00   0.03   0.04     0.06  -0.01  -0.09
     3   6     0.00   0.01  -0.01    -0.00   0.00  -0.02     0.01   0.00   0.08
     4   8     0.01  -0.01  -0.04     0.01  -0.02  -0.03    -0.01  -0.00  -0.01
     5   8    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.01  -0.02
     6   7    -0.11   0.02  -0.02     0.09  -0.00  -0.03    -0.04   0.06   0.00
     7   8    -0.01   0.01   0.01    -0.01   0.00   0.02     0.01  -0.01  -0.02
     8   1     0.03  -0.09  -0.02    -0.00   0.04   0.04     0.45  -0.08  -0.02
     9   1     0.07   0.01   0.04    -0.09  -0.02  -0.10    -0.15  -0.14  -0.44
    10   1     0.05  -0.01   0.03     0.01   0.05  -0.01     0.24   0.35   0.15
    11   1     0.05   0.06   0.71     0.13   0.07   0.75     0.01  -0.00  -0.05
    12   1     0.42  -0.05  -0.06    -0.52  -0.07   0.07     0.17  -0.18   0.05
    13   1     0.50   0.03   0.14    -0.28   0.08  -0.01    -0.28   0.26   0.18
    14   1    -0.03   0.02   0.03     0.06  -0.03  -0.04     0.19  -0.11  -0.14
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1057.1355              1089.4992              1116.0638
 Red. masses --      2.6144                 5.9180                 2.6208
 Frc consts  --      1.7214                 4.1388                 1.9233
 IR Inten    --     65.2682                96.9360                 6.1435
 RamAct Fr= 1--      2.0617                 2.6403                 1.9709
  Dep-P Fr= 1--      0.6083                 0.6645                 0.7280
  Dep-U Fr= 1--      0.7565                 0.7984                 0.8426
 Alpha2 Fr= 1--      0.0054                 0.0040                 0.0007
 Beta2  Fr= 1--      0.2599                 0.3513                 0.2768
 AlphaG Fr= 1--      0.0081                -0.0069                 0.0020
 Gamma2 Fr= 1--      0.8521                -0.2699                 0.0213
 Delta2 Fr= 1--      0.2768                -0.0438                -0.7206
 Raman1 Fr= 1--       8.247                 10.561                  7.884
 ROA1   Fr= 1--      90.659                -27.313                -21.013
 CID1   Fr= 1--      10.993                 -2.586                 -2.665
 Raman2 Fr= 1--       3.119                  4.216                  3.321
 ROA2   Fr= 1--      18.236                 -6.128                  6.277
 CID2   Fr= 1--       5.846                 -1.453                  1.890
 Raman3 Fr= 1--       6.239                  8.432                  6.643
 ROA3   Fr= 1--      90.659                -27.313                -21.013
 CID3   Fr= 1--      14.532                 -3.239                 -3.163
 RC180  Fr= 1--       0.513                  0.597                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.07  -0.13    -0.30   0.33   0.13    -0.05   0.06  -0.11
     2   6     0.21   0.14   0.08    -0.06   0.10   0.03     0.22  -0.21   0.03
     3   6     0.07   0.00   0.03     0.02  -0.01   0.02    -0.03   0.00  -0.03
     4   8    -0.12   0.01   0.01    -0.01   0.01  -0.00     0.00  -0.02   0.01
     5   8    -0.02   0.03   0.03     0.23  -0.28  -0.14     0.01  -0.03   0.00
     6   7    -0.06  -0.07   0.01     0.04  -0.08  -0.02    -0.07   0.13   0.06
     7   8     0.03  -0.04  -0.00     0.01  -0.01  -0.00    -0.01   0.04  -0.00
     8   1     0.28   0.46   0.10     0.32   0.15   0.09     0.37  -0.35   0.05
     9   1     0.02  -0.14  -0.12    -0.37   0.35   0.10    -0.31   0.26   0.20
    10   1    -0.19   0.03  -0.13    -0.18   0.17   0.10    -0.20  -0.30  -0.16
    11   1    -0.10   0.01   0.07    -0.04  -0.00   0.02     0.03  -0.01  -0.02
    12   1     0.05   0.26  -0.10     0.21  -0.12  -0.03    -0.24   0.15   0.08
    13   1     0.46  -0.25  -0.10     0.10  -0.06   0.02    -0.17   0.15   0.04
    14   1     0.24  -0.13  -0.12    -0.19  -0.03   0.13    -0.25   0.13   0.14
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1187.2956              1224.4076              1228.1261
 Red. masses --      1.6001                 1.2223                 2.5571
 Frc consts  --      1.3289                 1.0797                 2.2724
 IR Inten    --      5.3990                23.7611                 6.3459
 RamAct Fr= 1--      2.9553                 1.5268                 7.4738
  Dep-P Fr= 1--      0.2682                 0.6502                 0.3635
  Dep-U Fr= 1--      0.4230                 0.7880                 0.5332
 Alpha2 Fr= 1--      0.0333                 0.0027                 0.0628
 Beta2  Fr= 1--      0.2083                 0.2005                 0.6642
 AlphaG Fr= 1--     -0.0077                 0.0061                -0.0036
 Gamma2 Fr= 1--      0.7865                -0.0660                -1.6136
 Delta2 Fr= 1--      0.2171                 0.8098                -0.9305
 Raman1 Fr= 1--      11.821                  6.107                 29.895
 ROA1   Fr= 1--      82.453                 19.581               -184.681
 CID1   Fr= 1--       6.975                  3.206                 -6.178
 Raman2 Fr= 1--       2.500                  2.406                  7.970
 ROA2   Fr= 1--      17.139                 -8.061                -31.282
 CID2   Fr= 1--       6.855                 -3.350                 -3.925
 Raman3 Fr= 1--       5.000                  4.813                 15.940
 ROA3   Fr= 1--      82.453                 19.581               -184.681
 CID3   Fr= 1--      16.490                  4.069                -11.586
 RC180  Fr= 1--      -0.154                  0.576                  0.066
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.11     0.04  -0.04  -0.01     0.04  -0.01   0.01
     2   6    -0.05   0.11   0.12    -0.04   0.00  -0.07    -0.07  -0.04  -0.02
     3   6    -0.03  -0.02  -0.03    -0.04  -0.00   0.08     0.27   0.10  -0.05
     4   8     0.02   0.00   0.00     0.02  -0.01  -0.01    -0.13   0.07   0.01
     5   8    -0.00   0.02   0.04     0.01   0.01   0.02    -0.00  -0.00   0.01
     6   7     0.01  -0.02  -0.07     0.01  -0.01   0.01     0.01   0.01   0.01
     7   8     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.03  -0.10   0.01
     8   1     0.34  -0.23   0.18     0.26   0.52  -0.02    -0.04  -0.19  -0.02
     9   1    -0.11   0.08   0.09    -0.44   0.20  -0.05    -0.34   0.17  -0.02
    10   1     0.23  -0.36  -0.10     0.36  -0.24   0.01     0.18  -0.16   0.02
    11   1     0.04   0.00  -0.04     0.10   0.02   0.02    -0.74  -0.10   0.14
    12   1     0.44  -0.39  -0.02    -0.11   0.12  -0.01    -0.07  -0.04   0.03
    13   1    -0.23   0.25   0.21     0.15  -0.12  -0.09    -0.13   0.00  -0.03
    14   1    -0.09   0.06   0.05    -0.29   0.18   0.16    -0.14   0.07   0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1315.7429              1377.8889              1391.0595
 Red. masses --      1.3204                 1.2255                 1.3295
 Frc consts  --      1.3467                 1.3708                 1.5157
 IR Inten    --      4.1203                15.7760                12.0482
 RamAct Fr= 1--      5.6834                 1.2511                 4.7947
  Dep-P Fr= 1--      0.6042                 0.3816                 0.7421
  Dep-U Fr= 1--      0.7533                 0.5524                 0.8519
 Alpha2 Fr= 1--      0.0153                 0.0099                 0.0006
 Beta2  Fr= 1--      0.7135                 0.1152                 0.6808
 AlphaG Fr= 1--     -0.0052                 0.0284                 0.0011
 Gamma2 Fr= 1--     -0.4093                 0.3988                 1.5604
 Delta2 Fr= 1--     -0.3114                -0.0904                -0.3450
 Raman1 Fr= 1--      22.733                  5.004                 19.179
 ROA1   Fr= 1--     -49.255                 35.391                138.757
 CID1   Fr= 1--      -2.167                  7.072                  7.235
 Raman2 Fr= 1--       8.562                  1.382                  8.170
 ROA2   Fr= 1--      -7.331                 10.295                 40.209
 CID2   Fr= 1--      -0.856                  7.448                  4.922
 Raman3 Fr= 1--      17.124                  2.765                 16.339
 ROA3   Fr= 1--     -49.255                 35.391                138.757
 CID3   Fr= 1--      -2.876                 12.802                  8.492
 RC180  Fr= 1--       0.507                  0.105                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05  -0.04    -0.08   0.06  -0.00    -0.03   0.07  -0.01
     2   6    -0.13  -0.06  -0.02     0.01   0.04  -0.06     0.03  -0.12   0.04
     3   6     0.01   0.00   0.03     0.02  -0.01  -0.01     0.00  -0.01   0.01
     4   8     0.01   0.01  -0.01    -0.02  -0.01   0.00     0.01   0.01  -0.00
     5   8    -0.01   0.00   0.01    -0.02  -0.01   0.03    -0.03  -0.01   0.02
     6   7     0.02   0.01   0.03     0.00  -0.01   0.04     0.00   0.02  -0.05
     7   8     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.00   0.01  -0.00
     8   1     0.74   0.09   0.11    -0.06  -0.38  -0.08    -0.29   0.66   0.00
     9   1     0.47  -0.15   0.13     0.15  -0.04   0.05     0.12   0.01   0.10
    10   1    -0.14  -0.05  -0.07     0.69  -0.34   0.05     0.28  -0.19   0.01
    11   1    -0.17  -0.03   0.05     0.18   0.03  -0.03    -0.17  -0.03   0.01
    12   1    -0.14   0.04   0.04    -0.15   0.14   0.01     0.18  -0.18  -0.02
    13   1     0.03  -0.10  -0.09     0.14  -0.13  -0.09    -0.20   0.18   0.10
    14   1     0.17  -0.10  -0.10     0.22  -0.14  -0.12     0.28  -0.19  -0.14
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1410.5294              1455.8720              1510.7726
 Red. masses --      1.6742                 1.2637                 1.0914
 Frc consts  --      1.9626                 1.5781                 1.4676
 IR Inten    --    473.2261                25.1377                 1.0670
 RamAct Fr= 1--      1.8324                 3.4337                 4.2372
  Dep-P Fr= 1--      0.2406                 0.3781                 0.7444
  Dep-U Fr= 1--      0.3879                 0.5487                 0.8535
 Alpha2 Fr= 1--      0.0223                 0.0275                 0.0004
 Beta2  Fr= 1--      0.1185                 0.3140                 0.6027
 AlphaG Fr= 1--     -0.0184                -0.0313                 0.0026
 Gamma2 Fr= 1--      0.0146                 1.2509                -0.7621
 Delta2 Fr= 1--      0.0483                -0.0825                -0.2293
 Raman1 Fr= 1--       7.329                 13.735                 16.949
 ROA1   Fr= 1--       2.950                117.446                -80.500
 CID1   Fr= 1--       0.402                  8.551                 -4.750
 Raman2 Fr= 1--       1.422                  3.768                  7.233
 ROA2   Fr= 1--      -0.035                 30.681                -16.457
 CID2   Fr= 1--      -0.025                  8.142                 -2.275
 Raman3 Fr= 1--       2.843                  7.536                 14.466
 ROA3   Fr= 1--       2.950                117.446                -80.500
 CID3   Fr= 1--       1.037                 15.584                 -5.565
 RC180  Fr= 1--      -0.224                  0.097                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02  -0.00     0.10   0.03  -0.00    -0.02  -0.06  -0.06
     2   6    -0.06  -0.04   0.02    -0.01   0.04  -0.01    -0.01  -0.01  -0.00
     3   6     0.16   0.04  -0.02    -0.05  -0.02   0.01     0.01   0.00  -0.00
     4   8    -0.10  -0.06   0.02     0.03   0.01  -0.01    -0.00  -0.00   0.00
     5   8    -0.02  -0.01   0.00    -0.05  -0.03   0.01     0.00  -0.00  -0.00
     6   7     0.00   0.02  -0.01    -0.00  -0.01   0.01    -0.00   0.01   0.00
     7   8    -0.05   0.03  -0.00     0.01   0.00   0.00    -0.00   0.00   0.00
     8   1     0.08   0.13   0.04     0.06  -0.12  -0.01     0.03   0.01   0.00
     9   1    -0.13   0.11   0.01    -0.51   0.38   0.09    -0.02   0.13   0.70
    10   1    -0.18   0.00  -0.03    -0.16   0.04  -0.04     0.30   0.63   0.06
    11   1     0.87   0.15  -0.14    -0.15  -0.03   0.03     0.02   0.00  -0.00
    12   1     0.07  -0.10   0.01    -0.03   0.05  -0.00     0.00  -0.03   0.01
    13   1    -0.01   0.02  -0.01     0.05  -0.04  -0.01    -0.01  -0.01  -0.02
    14   1     0.15  -0.11  -0.09     0.53  -0.38  -0.26    -0.03   0.01   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1659.5540              1813.2356              2953.1900
 Red. masses --      1.0927                 9.0078                 1.0715
 Frc consts  --      1.7732                17.4492                 5.5058
 IR Inten    --     36.8573               286.1655                60.0939
 RamAct Fr= 1--      2.9651                13.9540               131.5496
  Dep-P Fr= 1--      0.6543                 0.2040                 0.1396
  Dep-U Fr= 1--      0.7910                 0.3389                 0.2450
 Alpha2 Fr= 1--      0.0051                 0.1875                 2.0876
 Beta2  Fr= 1--      0.3909                 0.7881                 5.3726
 AlphaG Fr= 1--      0.0010                 0.1121                -0.1746
 Gamma2 Fr= 1--     -0.0362                 0.9178                -4.3075
 Delta2 Fr= 1--     -0.1518                 0.2638                -1.0451
 Raman1 Fr= 1--      11.860                 55.816                526.198
 ROA1   Fr= 1--      -8.327                 96.550               -446.963
 CID1   Fr= 1--      -0.702                  1.730                 -0.849
 Raman2 Fr= 1--       4.691                  9.457                 64.471
 ROA2   Fr= 1--       0.346                 19.917                -95.020
 CID2   Fr= 1--       0.074                  2.106                 -1.474
 Raman3 Fr= 1--       9.382                 18.913                128.943
 ROA3   Fr= 1--      -8.327                 96.550               -446.963
 CID3   Fr= 1--      -0.888                  5.105                 -3.466
 RC180  Fr= 1--       0.582                 -0.322                 -0.510
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.02   0.03  -0.00     0.00  -0.00  -0.08
     2   6    -0.03  -0.01  -0.01     0.01  -0.05   0.00    -0.00  -0.00   0.01
     3   6     0.01   0.00  -0.00    -0.29   0.62  -0.05     0.00   0.00  -0.00
     4   8    -0.00  -0.00   0.00     0.00  -0.07   0.01    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00  -0.00  -0.00
     6   7     0.02  -0.07  -0.02     0.00  -0.01   0.00    -0.00   0.00  -0.00
     7   8    -0.00   0.00   0.00     0.17  -0.38   0.03    -0.00  -0.00   0.00
     8   1     0.03  -0.01   0.00    -0.02   0.04  -0.00     0.02   0.00  -0.08
     9   1     0.02   0.00   0.03     0.08   0.01   0.07     0.07   0.14  -0.05
    10   1     0.01   0.01  -0.00     0.06  -0.01  -0.00    -0.12  -0.09   0.97
    11   1     0.03   0.00  -0.02     0.50   0.14  -0.09    -0.00   0.00  -0.00
    12   1    -0.04   0.68  -0.22    -0.01   0.01  -0.00    -0.00   0.01   0.00
    13   1    -0.03   0.42   0.56     0.03  -0.01   0.01    -0.00   0.00   0.00
    14   1    -0.00   0.00  -0.00     0.15  -0.14  -0.04    -0.00  -0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3050.9044              3068.3577              3446.5464
 Red. masses --      1.0826                 1.0919                 1.0639
 Frc consts  --      5.9370                 6.0568                 7.4459
 IR Inten    --     12.5336                29.9083               244.5016
 RamAct Fr= 1--     57.3030               104.4343                74.6767
  Dep-P Fr= 1--      0.4100                 0.1958                 0.0732
  Dep-U Fr= 1--      0.5816                 0.3275                 0.1365
 Alpha2 Fr= 1--      0.4094                 1.4342                 1.3953
 Beta2  Fr= 1--      5.5545                 5.6995                 1.6983
 AlphaG Fr= 1--     -0.0457                 0.7479                -0.0752
 Gamma2 Fr= 1--     -0.5466                 7.7874                -0.2552
 Delta2 Fr= 1--     -1.7315                 3.7519                 1.0614
 Raman1 Fr= 1--     229.212                417.737                298.707
 ROA1   Fr= 1--    -107.875                867.652                  9.464
 CID1   Fr= 1--      -0.471                  2.077                  0.032
 Raman2 Fr= 1--      66.654                 68.394                 20.380
 ROA2   Fr= 1--       0.734                156.883                -14.616
 CID2   Fr= 1--       0.011                  2.294                 -0.717
 Raman3 Fr= 1--     133.308                136.789                 40.760
 ROA3   Fr= 1--    -107.875                867.652                  9.464
 CID3   Fr= 1--      -0.809                  6.343                  0.232
 RC180  Fr= 1--       0.163                 -0.345                 -0.727
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.04  -0.07   0.03     0.00  -0.00   0.00
     2   6     0.01   0.00  -0.08    -0.00  -0.00   0.02    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01  -0.00
     4   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.06   0.00
     5   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   7     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.14  -0.02   0.94     0.04   0.01  -0.29     0.00  -0.00  -0.00
     9   1     0.13   0.26  -0.06     0.43   0.81  -0.19    -0.00  -0.00  -0.00
    10   1    -0.01  -0.01   0.03     0.01   0.00  -0.15     0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.24   0.95  -0.07
    12   1    -0.01  -0.00  -0.01     0.00  -0.00   0.00     0.01   0.03   0.10
    13   1     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.02   0.07  -0.06
    14   1    -0.01  -0.01   0.00    -0.02  -0.01   0.01    -0.01  -0.02   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3493.6018              3583.5728              3672.7407
 Red. masses --      1.0522                 1.0915                 1.0656
 Frc consts  --      7.5664                 8.2586                 8.4686
 IR Inten    --      0.8127                11.6996               146.3411
 RamAct Fr= 1--     92.3397                59.7086                40.5645
  Dep-P Fr= 1--      0.0920                 0.5267                 0.0784
  Dep-U Fr= 1--      0.1685                 0.6900                 0.1453
 Alpha2 Fr= 1--      1.6485                 0.2587                 0.7486
 Beta2  Fr= 1--      2.5937                 6.8665                 0.9825
 AlphaG Fr= 1--     -0.0251                 0.1876                -0.1896
 Gamma2 Fr= 1--     -1.3829                 0.9174                -0.7679
 Delta2 Fr= 1--     -0.1908                -1.8196                -1.2532
 Raman1 Fr= 1--     369.359                238.834                162.258
 ROA1   Fr= 1--    -138.862                 29.845               -113.823
 CID1   Fr= 1--      -0.376                  0.125                 -0.701
 Raman2 Fr= 1--      31.124                 82.398                 11.790
 ROA2   Fr= 1--     -31.663                 36.575                 -8.405
 CID2   Fr= 1--      -1.017                  0.444                 -0.713
 Raman3 Fr= 1--      62.249                164.796                 23.580
 ROA3   Fr= 1--    -138.862                 29.845               -113.823
 CID3   Fr= 1--      -2.231                  0.181                 -4.827
 RC180  Fr= 1--      -0.663                  0.380                 -0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   8    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.05   0.00
     6   7    -0.01  -0.04  -0.04    -0.00  -0.04   0.07    -0.00   0.00  -0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00   0.01     0.00   0.00  -0.01     0.00  -0.00   0.00
     9   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.02  -0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    11   1     0.03  -0.13   0.01     0.01  -0.02   0.00    -0.00   0.02  -0.00
    12   1     0.11   0.24   0.83    -0.08  -0.15  -0.44     0.00   0.00   0.00
    13   1     0.06   0.36  -0.31     0.14   0.68  -0.53    -0.00  -0.01   0.00
    14   1     0.00   0.01  -0.00     0.00   0.01  -0.00     0.47   0.87  -0.07

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   496.33169 752.321951186.52001
           X            0.99947  -0.03182   0.00685
           Y            0.03179   0.99948   0.00481
           Z           -0.00700  -0.00459   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.17451     0.11513     0.07300
 Rotational constants (GHZ):           3.63616     2.39889     1.52104
 Zero-point vibrational energy     299081.9 (Joules/Mol)
                                   71.48228 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     99.82   238.64   337.48   427.00   478.40
          (Kelvin)            510.10   603.35   789.77   844.95   875.21
                             1068.65  1165.41  1219.06  1270.26  1433.21
                             1520.98  1567.55  1605.77  1708.25  1761.65
                             1767.00  1893.06  1982.47  2001.42  2029.44
                             2094.68  2173.66  2387.73  2608.84  4248.98
                             4389.57  4414.68  4958.81  5026.51  5155.96
                             5284.25
 
 Zero-point correction=                           0.113914 (Hartree/Particle)
 Thermal correction to Energy=                    0.121140
 Thermal correction to Enthalpy=                  0.122084
 Thermal correction to Gibbs Free Energy=         0.082444
 Sum of electronic and zero-point Energies=           -399.042285
 Sum of electronic and thermal Energies=              -399.035060
 Sum of electronic and thermal Enthalpies=            -399.034116
 Sum of electronic and thermal Free Energies=         -399.073756
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   76.016             26.125             83.429
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.585
 Vibrational             74.239             20.163             15.980
 Vibration     1          0.598              1.969              4.171
 Vibration     2          0.624              1.884              2.482
 Vibration     3          0.654              1.788              1.844
 Vibration     4          0.690              1.680              1.435
 Vibration     5          0.714              1.611              1.248
 Vibration     6          0.730              1.566              1.146
 Vibration     7          0.782              1.428              0.894
 Vibration     8          0.904              1.142              0.546
 Vibration     9          0.944              1.059              0.472
 Vibration    10          0.967              1.014              0.436
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.119821D-37        -37.921468        -87.317407
 Total V=0       0.298823D+15         14.475414         33.330872
 Vib (Bot)       0.118839D-50        -50.925041       -117.259240
 Vib (Bot)    1  0.297307D+01          0.473206          1.089597
 Vib (Bot)    2  0.121663D+01          0.085159          0.196086
 Vib (Bot)    3  0.838002D+00         -0.076755         -0.176734
 Vib (Bot)    4  0.641960D+00         -0.192492         -0.443229
 Vib (Bot)    5  0.561070D+00         -0.250983         -0.577910
 Vib (Bot)    6  0.518861D+00         -0.284949         -0.656120
 Vib (Bot)    7  0.418929D+00         -0.377860         -0.870054
 Vib (Bot)    8  0.286193D+00         -0.543341         -1.251088
 Vib (Bot)    9  0.257585D+00         -0.589080         -1.356406
 Vib (Bot)   10  0.243372D+00         -0.613730         -1.413165
 Vib (V=0)       0.296374D+02          1.471841          3.389038
 Vib (V=0)    1  0.351483D+01          0.545904          1.256990
 Vib (V=0)    2  0.181537D+01          0.258965          0.596288
 Vib (V=0)    3  0.147583D+01          0.169037          0.389222
 Vib (V=0)    4  0.131370D+01          0.118497          0.272850
 Vib (V=0)    5  0.125153D+01          0.097442          0.224368
 Vib (V=0)    6  0.122057D+01          0.086562          0.199315
 Vib (V=0)    7  0.115230D+01          0.061567          0.141764
 Vib (V=0)    8  0.107611D+01          0.031858          0.073356
 Vib (V=0)    9  0.106245D+01          0.026308          0.060578
 Vib (V=0)   10  0.105608D+01          0.023699          0.054568
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.238271D+06          5.377071         12.381164
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3   3  33            33  2                                       1    1    1 1111 1 111  111                                    
     6   5  44            00  9                                       8    6    5 4433 3 221  100 9   888  7   65 5   4 332 2  1     
     7   8  94            65  5                                       1    6    1 5197 1 228  185 9   841  4   08 4   1 539 3  6  6  
     3   4  47            81  3                                       3    0    1 6118 6 847  697 6   370  3   87 9   9 537 5  6  9  
 
     X   X  XX            XX  X                                       X    X    X XXXX X XXX  XXX X   XXX  X   XX X   X XXX X  X  X  
     X       X                X                                       X    X       X           XX     XX       XX                    
     X       X                X                                       X            X           XX     XX        X                    
     X       X                                                        X            X           X       X                             
     X       X                                                        X            X                   X                             
     X       X                                                        X            X                                                 
             X                                                        X            X                                                 
             X                                                        X            X                                                 
             X                                                        X            X                                                 
             X                                                        X            X                                                 
                                                                      X            X                                                 
                                                                      X            X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000047074   -0.000055048   -0.000003350
      2        6          -0.000081133   -0.000015703    0.000054424
      3        6           0.000043205    0.000102134   -0.000058742
      4        8          -0.000035846    0.000040468    0.000017133
      5        8           0.000014835    0.000049545    0.000020695
      6        7           0.000012968   -0.000034489   -0.000013704
      7        8          -0.000013682   -0.000048134    0.000012415
      8        1          -0.000002391    0.000010917   -0.000009871
      9        1           0.000002451   -0.000002112   -0.000010652
     10        1           0.000016201    0.000007962    0.000004619
     11        1           0.000003030   -0.000058977   -0.000004660
     12        1           0.000008135   -0.000005380   -0.000009774
     13        1           0.000001139   -0.000002149   -0.000003417
     14        1          -0.000015984    0.000010967    0.000004884
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000102134 RMS     0.000033141
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.658255D+02 -0.273758D+01 -0.350272D+00
      2  -0.273758D+01  0.653241D+02  0.416617D+00
      3  -0.350272D+00  0.416617D+00  0.482690D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.150890D+01 -0.243313D+01 -0.138395D+02
      2   0.709762D+00  0.249173D+01  0.855654D+01
      3   0.109486D+02  0.405854D+01 -0.123976D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.142517D+01 -0.203638D+02 -0.413445D+01
      2   0.335920D+01  0.303798D+02 -0.420224D+00
      3  -0.193403D+01 -0.100160D+02  0.455468D+01
      4   0.191567D+02  0.645624D+01  0.593846D+01
      5   0.304680D+01  0.446385D+01  0.160798D+02
      6   0.201800D+01  0.237873D+01  0.324838D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.319232D+01  0.902747D+00  0.185223D+01 -0.351353D+00 -0.499746D+01
      2   0.902747D+00 -0.230375D+01  0.669770D+00 -0.499746D+01 -0.405192D+01
      3   0.185223D+01  0.669770D+00  0.236172D+01 -0.151803D+00  0.853896D+00
                 6             7             8             9            10 
      1  -0.151803D+00  0.285148D+01  0.602409D-01  0.127169D+01 -0.378758D+01
      2   0.853896D+00  0.602409D-01  0.120131D+01 -0.106766D+01 -0.366861D+00
      3  -0.295652D+00  0.127169D+01 -0.106766D+01 -0.878904D+01 -0.132644D+01
                11            12            13            14            15 
      1  -0.366861D+00 -0.132644D+01 -0.138729D+01  0.359820D+01  0.224733D+00
      2   0.265426D+01  0.139958D-01  0.359820D+01  0.113931D+01 -0.114209D+00
      3   0.139958D-01 -0.154574D+01  0.224733D+00 -0.114209D+00  0.461704D+00
                16            17            18            19            20 
      1  -0.249938D+01  0.258758D+00 -0.121416D+01  0.783375D+00  0.217478D+00
      2   0.258758D+00 -0.192334D+00 -0.270609D+00  0.217478D+00 -0.488539D+01
      3  -0.121416D+01 -0.270609D+00  0.664871D+01  0.110050D-01  0.555256D-02
                21            22            23            24            25 
      1   0.110050D-01  0.249534D+01 -0.338333D+01 -0.738290D-01 -0.527731D+00
      2   0.555256D-02 -0.338333D+01  0.314390D+01 -0.427053D+00 -0.144263D+00
      3  -0.801865D+00 -0.738290D-01 -0.427053D+00  0.150122D+00 -0.419972D+00
                26            27            28            29            30 
      1  -0.144263D+00 -0.419972D+00 -0.731050D+01 -0.105771D+01  0.266233D+00
      2   0.355796D+00  0.125085D+00 -0.105771D+01  0.597574D+00 -0.190000D-01
      3   0.125085D+00 -0.561511D+00  0.266233D+00 -0.190000D-01 -0.103059D+01
                31            32            33            34            35 
      1  -0.335057D+01 -0.205055D+01  0.120229D+00  0.105188D+01  0.396579D+00
      2  -0.205055D+01 -0.557665D+01  0.291852D+00  0.396579D+00  0.425059D+00
      3   0.120229D+00  0.291852D+00 -0.198777D+00 -0.211283D+01 -0.153075D+00
                36            37            38            39            40 
      1  -0.211283D+01  0.760320D+01 -0.225429D+01 -0.110635D+01  0.698353D+00
      2  -0.153075D+00 -0.225429D+01  0.276599D+01 -0.811239D-01  0.440017D+01
      3   0.507264D+00 -0.110635D+01 -0.811239D-01  0.335682D+00 -0.107542D+00
                41            42            43            44            45 
      1   0.440017D+01 -0.107542D+00 -0.180906D+01  0.556697D+00  0.126813D+01
      2   0.950666D+00 -0.179527D+00  0.556697D+00 -0.832700D+00 -0.600769D+00
      3  -0.179527D+00  0.103486D+01  0.126813D+01 -0.600769D+00 -0.235625D+00
                46            47            48            49            50 
      1  -0.213508D+01  0.258528D+01  0.658972D+00  0.238838D+01 -0.308365D+01
      2   0.258528D+01 -0.313178D+01  0.316787D+00 -0.308365D+01 -0.200275D+01
      3   0.658972D+00  0.316787D+00 -0.847681D+00  0.268365D+00  0.918117D+00
                51            52            53            54            55 
      1   0.268365D+00  0.534873D+00  0.261015D+00 -0.894988D+00  0.434322D+01
      2   0.918117D+00  0.261015D+00  0.124771D+01 -0.240358D+01 -0.251018D+01
      3  -0.229717D+01 -0.894988D+00 -0.240358D+01 -0.350047D+01  0.129382D+00
                56            57            58            59            60 
      1  -0.251018D+01  0.129382D+00 -0.455282D+01  0.242524D+01  0.165159D-01
      2   0.261096D+01 -0.143227D+00  0.242524D+01 -0.119628D+02  0.372795D+00
      3  -0.143227D+00  0.134866D+01  0.165159D-01  0.372795D+00 -0.197273D+01
                61            62            63            64            65 
      1   0.407324D+00 -0.181696D+00  0.990868D+00  0.130499D+01  0.299587D+00
      2  -0.181696D+00  0.408295D+00 -0.294395D+01  0.299587D+00 -0.146160D+00
      3   0.990868D+00 -0.294395D+01  0.662118D+00 -0.101424D+01  0.252171D-01
                66            67            68            69            70 
      1  -0.101424D+01  0.213016D+00 -0.536166D+00 -0.286429D-01 -0.138339D+01
      2   0.252171D-01 -0.536166D+00  0.305859D+00 -0.986526D+00 -0.179910D-01
      3   0.127180D+01 -0.286429D-01 -0.986526D+00  0.149632D+00  0.659114D+00
                71            72            73            74            75 
      1  -0.179910D-01  0.659114D+00  0.287200D+01  0.202568D+01 -0.484171D+00
      2  -0.175709D+01  0.675306D+00  0.202568D+01  0.238637D+01 -0.149728D+00
      3   0.675306D+00 -0.826624D+01 -0.484171D+00 -0.149728D+00  0.550671D+00
                76            77            78            79            80 
      1   0.314709D+01  0.330745D+01  0.463635D-02 -0.109769D+01 -0.390071D+00
      2   0.330745D+01  0.672161D+01 -0.507373D+00 -0.390071D+00 -0.128621D+01
      3   0.463635D-02 -0.507373D+00  0.828484D+00  0.592359D+00  0.985292D+00
                81            82            83            84            85 
      1   0.592359D+00 -0.689530D+00  0.196945D+00  0.104402D+01 -0.311453D+00
      2   0.985292D+00  0.196945D+00  0.687808D-01 -0.330299D+00  0.465610D+00
      3   0.294641D+00  0.104402D+01 -0.330299D+00 -0.130445D+01 -0.519948D-01
                86            87            88            89            90 
      1   0.465610D+00 -0.519948D-01  0.171075D+01 -0.287409D+00  0.171794D+00
      2   0.369495D+00  0.102522D+01 -0.287409D+00  0.139593D+01  0.973417D+00
      3   0.102522D+01 -0.417095D+00  0.171794D+00  0.973417D+00  0.949626D+01
                91            92            93            94            95 
      1  -0.307288D+01  0.909305D+00 -0.130460D+00  0.343996D+01  0.321823D+00
      2   0.909305D+00 -0.851611D+00 -0.170991D-01  0.321823D+00  0.558316D+01
      3  -0.130460D+00 -0.170991D-01 -0.849576D+00 -0.248490D+00 -0.234619D+00
                96            97            98            99           100 
      1  -0.248490D+00 -0.252100D+00 -0.124416D+00 -0.809186D+00 -0.491439D+00
      2  -0.234619D+00 -0.124416D+00 -0.447009D+00  0.136878D+00 -0.517606D-01
      3   0.410066D+00 -0.809186D+00  0.136878D+00  0.422946D-02  0.120747D+00
               101           102           103           104           105 
      1  -0.517606D-01  0.120747D+00  0.157836D+00 -0.112489D+00 -0.267254D-01
      2   0.289472D+00  0.175402D+00 -0.112489D+00  0.213333D+01  0.138571D+01
      3   0.175402D+00  0.299963D+00 -0.267254D-01  0.138571D+01  0.151111D+01
               106           107           108           109           110 
      1   0.140093D+01 -0.266349D+00 -0.128811D-01 -0.367529D+00  0.257728D+00
      2  -0.266349D+00  0.316618D+01  0.278756D+01  0.257728D+00  0.735727D+00
      3  -0.128811D-01  0.278756D+01  0.588455D+01 -0.205890D+00 -0.312757D+00
               111           112           113           114           115 
      1  -0.205890D+00  0.894388D+00  0.179692D+00 -0.995189D-01 -0.920156D+00
      2  -0.312757D+00  0.179692D+00  0.777949D+01 -0.220404D+01 -0.284128D+00
      3   0.444301D+00 -0.995189D-01 -0.220404D+01  0.188436D+01  0.103927D+00
               116           117           118           119           120 
      1  -0.284128D+00  0.103927D+00 -0.224457D+01 -0.115395D+01  0.184965D+00
      2  -0.410433D+01  0.223398D+01 -0.115395D+01 -0.790430D+00 -0.153491D+00
      3   0.223398D+01 -0.193046D+01  0.184965D+00 -0.153491D+00 -0.232890D+00
               121           122           123           124           125 
      1  -0.348087D+01 -0.534526D+00  0.154066D+00  0.532267D+00  0.163035D+00
      2  -0.534526D+00 -0.453268D+01 -0.194243D+00  0.163035D+00  0.419385D+00
      3   0.154066D+00 -0.194243D+00 -0.124892D+01  0.406133D+00 -0.477865D+00
               126 
      1   0.406133D+00
      2  -0.477865D+00
      3  -0.214423D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.289261D+01 -0.277547D+01 -0.363342D+01 -0.241059D+01 -0.303659D+01
      2   0.395527D+01  0.137374D+01  0.359503D+01 -0.185260D+00  0.263840D+01
      3   0.478180D+01  0.460967D+01  0.108147D+01  0.110223D+02  0.559762D+00
                 6             7             8             9            10 
      1   0.564301D+00 -0.163652D+01  0.220250D+01  0.824787D+01  0.202638D+01
      2   0.122671D+01 -0.166986D+01 -0.133727D+01 -0.102569D+02 -0.808902D+00
      3  -0.177808D+01  0.222494D+01 -0.131065D+01  0.286772D+01 -0.293962D+01
                11            12            13            14            15 
      1  -0.670782D+00 -0.144003D+00 -0.274059D+01  0.775454D+00 -0.260075D+01
      2  -0.111030D+01  0.101747D+01  0.178247D+01  0.945459D+00  0.275764D+01
      3  -0.468002D+01 -0.129860D+01  0.369865D+00 -0.183643D+01  0.654903D+00
                16            17            18            19            20 
      1   0.100692D+01  0.375632D+01 -0.143497D+01  0.123037D+00  0.166230D+01
      2  -0.490178D+01  0.143248D+01  0.902298D+00 -0.566267D+00 -0.200280D+01
      3  -0.381692D+01  0.371182D+00 -0.893556D+00  0.922207D+00 -0.582585D+01
                21            22            23            24            25 
      1  -0.202516D+01  0.232346D+01  0.270435D+01  0.798389D+01  0.321484D+01
      2  -0.632555D+01 -0.271177D+01  0.424761D+00  0.502479D+00 -0.137466D+02
      3   0.148035D+01 -0.654695D+01  0.240245D+01 -0.109489D+01  0.393679D+01
                26            27            28            29            30 
      1   0.130584D+02 -0.249041D+01  0.548440D+00 -0.670093D-01 -0.231565D+00
      2  -0.469069D+01  0.202931D+01 -0.134455D+01 -0.344105D+00  0.836006D+01
      3  -0.767400D+00  0.927676D+00  0.313554D+01 -0.422227D+01 -0.292824D+00
                31            32            33            34            35 
      1  -0.690504D+00 -0.115010D+01 -0.330262D+01 -0.310052D+01 -0.402459D-01
      2   0.107122D+01 -0.588350D+00  0.232293D+01  0.309023D+01  0.331428D+01
      3   0.360824D+00 -0.207267D+02  0.897624D+00 -0.471833D+00  0.241732D+01
                36            37            38            39            40 
      1   0.649382D+00  0.463370D-02 -0.145281D+00  0.321733D+01  0.177567D+00
      2  -0.184038D+01 -0.235090D+01  0.132816D+01  0.583337D+01 -0.492760D-01
      3   0.121948D+01 -0.314366D+01 -0.171117D+02 -0.100889D+01 -0.122368D+02
                41            42            43            44            45 
      1  -0.152354D+01 -0.432875D+01 -0.346876D+00  0.380245D+01 -0.140022D+01
      2  -0.653696D+00 -0.477446D+00 -0.123795D+00 -0.889322D+00 -0.185452D+01
      3  -0.528466D+01  0.806836D+00  0.263991D+00  0.277924D+01  0.141251D+01
                46            47            48            49            50 
      1  -0.128515D+01  0.269612D+00  0.240448D+01  0.508151D+00 -0.496459D+01
      2  -0.124003D+01  0.161877D+01  0.649999D+01  0.591660D-01 -0.255555D+01
      3   0.848419D-01 -0.517860D+01  0.901061D+00  0.583577D+01 -0.891700D+01
                51            52            53            54            55 
      1   0.988119D+00  0.152429D+01  0.998248D+01  0.615507D+01 -0.235535D+00
      2   0.200085D+01 -0.110864D+01  0.401059D+01  0.424574D+01  0.388474D+00
      3   0.161878D+01  0.137705D+01  0.253687D+01 -0.530537D+01 -0.825428D+01
                56            57            58            59            60 
      1  -0.783230D+00  0.204099D+01  0.293516D+00  0.825419D+00 -0.108400D+02
      2   0.801971D+00  0.395004D+01 -0.123530D+00 -0.897538D+00 -0.114398D+01
      3   0.652156D+00 -0.565764D+00  0.171859D+02 -0.712541D+01  0.489617D+00
                61            62            63            64            65 
      1  -0.985460D+00 -0.177176D+01  0.182107D+01  0.342005D+00 -0.258493D+00
      2  -0.190770D+01  0.382504D+01 -0.520185D+00  0.118941D+01  0.224079D+00
      3  -0.261691D+01 -0.215035D+00 -0.360443D+01  0.770392D+00 -0.428936D+00
                66            67            68            69            70 
      1  -0.394581D+00  0.276031D+00 -0.358518D+00 -0.167590D+00 -0.666264D+00
      2   0.108163D+01 -0.255757D-01 -0.249490D+00 -0.376463D+00 -0.230014D+01
      3  -0.725712D+00  0.160089D+01 -0.226782D+00  0.732711D-01 -0.702179D+00
                71            72            73            74            75 
      1   0.273549D+01  0.412824D+01  0.160117D+01  0.146168D+01 -0.130840D+01
      2   0.473618D+00 -0.541924D+00 -0.122593D+01 -0.813771D+00  0.199689D+01
      3   0.333594D+00  0.112600D+00  0.192168D+00 -0.360144D+01 -0.314214D+00
                76            77            78            79            80 
      1   0.108551D+01  0.304669D+01 -0.349491D+01 -0.565998D+00 -0.417897D+00
      2  -0.310349D+00 -0.135101D+01  0.222741D+01  0.129106D+00  0.134247D+01
      3   0.432624D+00 -0.837097D+01  0.104854D+01 -0.128488D+01  0.171548D+01
                81            82            83            84            85 
      1   0.293970D+00 -0.529841D+00  0.167145D-01  0.929086D+00  0.222930D+00
      2   0.920423D-01  0.259083D+01 -0.835437D+00 -0.105162D+01 -0.127914D+00
      3  -0.838374D+00 -0.138954D+01 -0.661553D+00  0.114058D+01 -0.709118D-01
                86            87            88            89            90 
      1  -0.670680D+00  0.149990D+00 -0.183188D+00  0.366436D+01 -0.765717D+01
      2   0.126368D+01 -0.501261D+00 -0.466132D+01  0.169381D+01  0.130688D+02
      3  -0.226975D-01 -0.124564D+01  0.175145D+01 -0.240579D+01 -0.189536D+01
                91            92            93            94            95 
      1   0.332472D+00  0.177514D+00  0.122506D+01  0.107471D+00  0.132556D+01
      2   0.951625D-01 -0.103774D+00  0.113005D+01 -0.144265D+00  0.426633D+00
      3  -0.361554D+00 -0.329402D+01 -0.199517D+00  0.185921D+00  0.228111D+02
                96            97            98            99           100 
      1   0.118532D+01  0.486488D+00  0.261951D+01 -0.474988D-01 -0.260944D+00
      2  -0.209324D+01 -0.165198D+00 -0.116278D+01  0.322854D+00 -0.100970D+01
      3  -0.718182D+00  0.113943D+00 -0.171662D+01 -0.280059D+00 -0.839692D+00
               101           102           103           104           105 
      1   0.269749D+00 -0.844446D+00  0.329522D+00 -0.215244D+01 -0.395087D+01
      2  -0.572517D-01 -0.428639D+00 -0.523270D-01 -0.183087D+01 -0.196634D+01
      3  -0.780622D+00  0.137734D+00  0.805949D+00  0.198102D+01  0.135674D+01
               106           107           108           109           110 
      1  -0.330269D+00 -0.371090D+01 -0.117657D+02 -0.140555D+00  0.435884D+00
      2  -0.318266D+01 -0.313616D+01 -0.657137D+01  0.354826D+00  0.536069D+00
      3   0.356965D+01  0.251665D+01  0.317718D+01 -0.336737D+00  0.465034D+00
               111           112           113           114           115 
      1  -0.125833D+01 -0.294547D-01  0.366390D+01 -0.502888D+01 -0.298685D+00
      2  -0.404726D+00  0.905711D+00  0.304125D+01 -0.197994D+01 -0.135947D+01
      3  -0.628538D+00  0.435627D+01  0.859199D+01 -0.260005D+01 -0.339178D+01
               116           117           118           119           120 
      1  -0.327662D+01  0.396270D+01  0.366488D+00  0.406810D+00  0.229683D-01
      2  -0.279367D+01  0.157216D+01 -0.202699D+00 -0.407279D+00 -0.111849D+01
      3  -0.517880D+01  0.273251D+01  0.874658D+01  0.739335D+01  0.848098D-01
               121           122           123           124           125 
      1   0.721979D+00  0.130701D+01 -0.129273D+01  0.512802D+00  0.606945D-01
      2  -0.882963D-01 -0.613667D+00 -0.249934D+01 -0.100876D+01 -0.713566D+00
      3   0.961500D+01  0.147956D+02  0.315939D+00 -0.953321D+00 -0.107603D+01
               126 
      1  -0.254268D+00
      2  -0.473330D+00
      3   0.367466D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.160894D+01  0.113740D+01 -0.179946D+01  0.728323D+01 -0.594834D+01
      2  -0.330032D+01 -0.503898D+01 -0.423253D+01 -0.114494D+02 -0.975133D+01
      3   0.490925D+01  0.390158D+01  0.603198D+01  0.416613D+01  0.156997D+02
      4   0.367052D+01 -0.115118D+02  0.529113D+01 -0.192391D+02 -0.200630D+02
      5   0.799088D+01  0.120335D+01  0.235703D+01 -0.232362D+01  0.246840D+01
      6   0.388113D+01  0.337812D+01  0.729106D+01 -0.582904D+00 -0.597685D+00
                 6             7             8             9            10 
      1   0.156787D+01  0.606633D+01  0.198605D+01  0.164229D+02 -0.433168D+01
      2   0.424448D+01 -0.440570D+01  0.207332D+01  0.677344D+01  0.391221D+01
      3  -0.581235D+01 -0.166063D+01 -0.405937D+01 -0.231964D+02  0.419471D+00
      4   0.199276D+01  0.155854D+01  0.430332D+01 -0.263238D+01 -0.133446D+01
      5   0.323552D+01  0.294169D+01 -0.178191D+01 -0.166899D+02 -0.268426D+01
      6  -0.339465D+01  0.241324D+01 -0.670991D+00 -0.108524D+02 -0.289618D+01
                11            12            13            14            15 
      1  -0.679890D+01 -0.863035D+00  0.284348D+01 -0.770493D+00  0.147297D+01
      2   0.118359D+02  0.462366D+00  0.235431D+01  0.784987D+00 -0.187460D+00
      3  -0.503701D+01  0.400669D+00 -0.519779D+01 -0.144939D-01 -0.128551D+01
      4  -0.291890D+01 -0.341179D+01 -0.576308D+01  0.972039D+01  0.121016D+01
      5  -0.108093D+01 -0.176046D+01  0.920189D+00  0.133896D+01  0.350221D+01
      6  -0.958868D+00 -0.155974D+01  0.155256D+00 -0.359101D+00  0.139013D+00
                16            17            18            19            20 
      1  -0.133064D+01 -0.594141D+00  0.603846D+01 -0.151787D+02 -0.847577D+01
      2  -0.728819D+00 -0.545242D+01  0.939729D+01  0.920185D+01  0.112061D+02
      3   0.205945D+01  0.604656D+01 -0.154358D+02  0.597684D+01 -0.273033D+01
      4  -0.566938D+01 -0.153927D-01 -0.267361D+01  0.138445D+00  0.373571D+00
      5  -0.806334D+00 -0.129602D+01  0.571586D+01  0.132321D+01 -0.986233D+00
      6  -0.318804D+01 -0.234572D+00  0.806762D+01  0.291897D+00 -0.765796D+00
                21            22            23            24            25 
      1   0.845492D+00  0.224375D+01  0.221221D+02 -0.253980D+01  0.110005D+01
      2  -0.192067D+01 -0.580254D+00 -0.314351D+02 -0.589024D+00 -0.131834D+01
      3   0.107518D+01 -0.166349D+01  0.931300D+01  0.312883D+01  0.218294D+00
      4  -0.257316D+00 -0.932616D+01  0.375343D+01 -0.564489D+00  0.328029D+01
      5  -0.103436D+02 -0.690120D+00 -0.130409D+01  0.244624D+01  0.367227D+01
      6   0.447404D+01 -0.441807D+00 -0.428110D+00 -0.986708D+01 -0.288206D+00
                26            27            28            29            30 
      1  -0.484191D+01 -0.415307D+01  0.440946D+02  0.504343D+01 -0.140894D+01
      2   0.447155D+01 -0.751313D+01 -0.271543D+02 -0.264941D+01  0.165226D+01
      3   0.370356D+00  0.116662D+02 -0.169403D+02 -0.239402D+01 -0.243328D+00
      4   0.101168D+01  0.822136D+00  0.125339D+02  0.790136D+01  0.746581D+00
      5  -0.135707D+01  0.217708D+01 -0.198450D+01  0.726131D+00  0.161883D+02
      6   0.239341D+01  0.296073D+01  0.594634D+00  0.824450D+00  0.963521D+00
                31            32            33            34            35 
      1   0.110872D+02  0.474259D+01  0.449201D+00 -0.211255D+01  0.714566D+00
      2  -0.607919D+01 -0.106705D+00 -0.144970D-01  0.232468D+01  0.508714D+00
      3  -0.500803D+01 -0.463589D+01 -0.434704D+00 -0.212122D+00 -0.122328D+01
      4   0.158714D+02  0.174636D+02 -0.809825D+00 -0.546917D+00 -0.127443D+01
      5   0.743486D-01 -0.133262D+01  0.267425D+01  0.141643D+02  0.156285D+01
      6  -0.236884D+00 -0.583086D+00  0.602615D+01  0.391759D+01  0.462190D+01
                36            37            38            39            40 
      1   0.553135D+01  0.434783D+02 -0.551334D+01 -0.170378D+01 -0.304514D+01
      2  -0.770473D+01 -0.266220D+02  0.120921D-01  0.406013D+01  0.140840D+00
      3   0.217337D+01 -0.168563D+02  0.550125D+01 -0.235635D+01  0.290430D+01
      4   0.403381D+01 -0.122854D+02  0.153177D+02 -0.488719D+00  0.176830D+02
      5  -0.338955D+01 -0.563694D+01  0.254703D+00  0.111388D+02  0.858561D+00
      6  -0.882769D+00 -0.597649D+00 -0.102013D+01 -0.425390D+01  0.347036D-01
                41            42            43            44            45 
      1   0.110796D+02 -0.394412D+01 -0.724536D+01  0.340560D+00  0.153250D+01
      2  -0.323253D+01 -0.671903D+00  0.569356D+01  0.512381D+00 -0.787533D+01
      3  -0.784702D+01  0.461603D+01  0.155180D+01 -0.852941D+00  0.634283D+01
      4   0.487422D+00 -0.121357D+01  0.275884D+01 -0.318885D+01 -0.256198D+01
      5  -0.212467D+01 -0.133248D+01  0.122191D+02 -0.434148D+01 -0.448903D+01
      6   0.217336D+01  0.852865D+01 -0.222910D+01  0.456260D+01  0.254367D+01
                46            47            48            49            50 
      1   0.355319D+01  0.683547D+01 -0.192411D+01  0.527794D+00  0.104605D+02
      2   0.558243D+01 -0.124274D+02  0.166388D+01 -0.688531D+01 -0.881212D+01
      3  -0.913563D+01  0.559193D+01  0.260229D+00  0.635752D+01 -0.164836D+01
      4  -0.481180D+01  0.180426D+02  0.239744D+01  0.180606D+02 -0.896834D+01
      5  -0.461575D+00  0.113344D+01  0.720345D+01 -0.330098D+00 -0.291557D+01
      6   0.225822D+01  0.208336D+01 -0.547985D+01  0.708530D+00  0.755132D+01
                51            52            53            54            55 
      1  -0.161580D+01 -0.226633D+01 -0.259415D+01  0.113880D+02 -0.621718D+00
      2   0.678672D+01  0.122452D+01  0.885983D+01 -0.124445D+02  0.497649D+01
      3  -0.517092D+01  0.104182D+01 -0.626568D+01  0.105646D+01 -0.435477D+01
      4  -0.140203D+01  0.120846D+01 -0.249327D+01 -0.189210D+01 -0.662894D+01
      5   0.154049D+01  0.668131D+01  0.356701D+01  0.456153D+01  0.911383D-01
      6  -0.738701D+01 -0.365659D+01 -0.106139D+02 -0.129958D+02 -0.456926D+00
                56            57            58            59            60 
      1   0.756170D+01 -0.857125D+00  0.530329D+01 -0.393150D+02  0.888176D+00
      2  -0.108283D+02  0.450019D+00 -0.683355D+01  0.586971D+02 -0.558270D-01
      3   0.326658D+01  0.407106D+00  0.153026D+01 -0.193822D+02 -0.832349D+00
      4   0.130361D+02 -0.609959D+00  0.164192D+02  0.158608D+01  0.279382D+00
      5  -0.316238D+00  0.593441D+01 -0.237322D+00  0.644951D+00 -0.985626D+00
      6   0.607106D+00 -0.427822D+01  0.544352D+00 -0.136587D-01  0.175206D+02
                61            62            63            64            65 
      1   0.111886D+00  0.292383D+01 -0.969867D+01  0.888013D+00  0.733541D+00
      2   0.315548D+00 -0.213877D+01  0.781046D+01 -0.428326D+01 -0.104835D+01
      3  -0.427433D+00 -0.785056D+00  0.188821D+01  0.339525D+01  0.314805D+00
      4  -0.148864D+01 -0.965033D-01  0.520822D+00  0.104993D+01  0.211323D+01
      5   0.331410D+01  0.278065D+01 -0.105591D+00 -0.131565D+01 -0.273424D+00
      6  -0.318284D+01  0.159695D+02 -0.292617D+01 -0.145910D+01 -0.390506D+00
                66            67            68            69            70 
      1   0.854022D+00  0.443977D+00 -0.329257D+01  0.280270D+00  0.404253D+00
      2   0.161534D+01  0.324817D+00  0.673245D+00 -0.134650D+01  0.236174D+01
      3  -0.246936D+01 -0.768794D+00  0.261932D+01  0.106623D+01 -0.276599D+01
      4  -0.119080D+01  0.236746D+01  0.144310D+00 -0.541351D+00 -0.124779D+01
      5   0.688555D+01 -0.120033D+00 -0.116238D+01 -0.553958D+00  0.480169D+01
      6   0.140083D+01 -0.822246D+00 -0.897202D+00  0.614924D+01  0.121463D+01
                71            72            73            74            75 
      1   0.245783D+01 -0.158389D+02  0.108678D+02  0.555915D+01 -0.133965D+01
      2  -0.177209D+00 -0.160777D+02 -0.802094D+00  0.220277D+01 -0.771783D-01
      3  -0.228062D+01  0.319166D+02 -0.100658D+02 -0.776192D+01  0.141682D+01
      4   0.426043D+00  0.100702D+01  0.153682D+02  0.159067D+02 -0.130792D+01
      5   0.773825D+00 -0.450088D+01 -0.749425D+00  0.374855D-02  0.327135D+01
      6   0.529598D+01 -0.108654D+02 -0.598292D+00 -0.106213D+00  0.179867D+01
                76            77            78            79            80 
      1   0.556669D+01 -0.267074D+01  0.486609D+00 -0.285794D+01  0.832329D+00
      2   0.467911D+01  0.203320D+02 -0.200220D+01  0.713797D+00 -0.321033D+01
      3  -0.102458D+02 -0.176613D+02  0.151559D+01  0.214414D+01  0.237800D+01
      4   0.199807D+02  0.305426D+02 -0.205111D+01 -0.339929D+01 -0.481663D+01
      5   0.620135D+00 -0.880971D+00  0.365550D+01  0.365532D+01  0.413942D+01
      6   0.882443D+00  0.271183D+00  0.446175D+01  0.240440D+01  0.465760D+01
                81            82            83            84            85 
      1  -0.163520D+01 -0.191070D+01  0.133744D+01  0.598497D+01 -0.136198D+01
      2   0.200305D+00 -0.136804D+01  0.366147D+00 -0.143132D+01  0.185769D+01
      3   0.143490D+01  0.327874D+01 -0.170359D+01 -0.455365D+01 -0.495712D+00
      4   0.474137D+01  0.206888D+00  0.272086D+01  0.297793D+00  0.307843D+01
      5  -0.180234D+00  0.184839D+01 -0.775441D-01  0.384523D+01 -0.223418D+00
      6  -0.108595D+01  0.734344D+00 -0.154539D+01 -0.242080D+01 -0.108746D-02
                86            87            88            89            90 
      1  -0.169370D+01 -0.111771D+01  0.521942D+01 -0.388130D+01 -0.207823D+02
      2   0.166322D+00  0.179812D+01 -0.297413D+01  0.158333D+01 -0.155112D+02
      3   0.152738D+01 -0.680410D+00 -0.224529D+01  0.229797D+01  0.362934D+02
      4   0.234796D+01  0.228684D+01  0.135756D+01  0.351994D+01  0.407063D+01
      5   0.216881D+01 -0.135670D+01  0.598635D+01  0.237224D+01  0.223249D+02
      6   0.121145D+01  0.553191D+01  0.264156D+00  0.621276D+01  0.114474D+02
                91            92            93            94            95 
      1   0.120734D+02 -0.466916D+01  0.358751D+00 -0.152090D+02 -0.102444D+01
      2  -0.675763D+01  0.203135D+01 -0.304478D+00  0.101990D+02  0.850122D+00
      3  -0.531582D+01  0.263781D+01 -0.542728D-01  0.501003D+01  0.174323D+00
      4  -0.849917D+01  0.365639D+01 -0.407225D+00 -0.200130D+01 -0.158515D+02
      5   0.215678D+00  0.137794D-02  0.250076D+01  0.593256D+00  0.104050D+01
      6  -0.241074D+00 -0.194020D+00 -0.185510D+01 -0.319363D+00  0.673882D+00
                96            97            98            99           100 
      1   0.449923D+00  0.107533D+01  0.478548D+00  0.176912D+01  0.202551D+01
      2  -0.576478D+00 -0.694571D+00 -0.579055D+00 -0.250554D+01 -0.212897D+01
      3   0.126555D+00 -0.380764D+00  0.100507D+00  0.736415D+00  0.103458D+00
      4   0.250464D+00  0.417546D+00  0.104657D+01 -0.156806D+01 -0.181123D+01
      5  -0.311052D+01  0.432399D+01 -0.110305D+01  0.370359D+00  0.755280D+00
      6  -0.222174D+01 -0.732146D+00  0.795601D+00  0.134023D+00  0.579946D+00
               101           102           103           104           105 
      1  -0.142081D+01 -0.553395D+00 -0.406961D+00 -0.775100D+01 -0.454635D+01
      2   0.141001D+01  0.438741D-01  0.144198D+00  0.104535D+02  0.562360D+01
      3   0.108003D-01  0.509521D+00  0.262763D+00 -0.270250D+01 -0.107725D+01
      4   0.125100D+01  0.100013D+01  0.225928D+01 -0.186896D+01 -0.128081D+01
      5   0.554285D+00  0.174753D+01  0.362971D+00 -0.140319D+01 -0.246708D+01
      6   0.918920D+00  0.173125D+01 -0.873350D-01  0.774243D+01  0.101228D+02
               106           107           108           109           110 
      1  -0.653970D+00 -0.107848D+02 -0.133715D+02  0.121943D+01 -0.268667D+01
      2   0.170443D+00  0.109052D+02  0.451261D+01 -0.413340D+00  0.388694D+01
      3   0.483527D+00 -0.120396D+00  0.885885D+01 -0.806088D+00 -0.120027D+01
      4   0.436090D+01 -0.204053D+01 -0.103595D+01 -0.103734D+00  0.285444D+01
      5   0.162820D+01 -0.329098D+01 -0.730404D+01 -0.418253D+00 -0.678606D+00
      6   0.115968D+00  0.147486D+02  0.253974D+02 -0.167364D+01 -0.236053D+01
               111           112           113           114           115 
      1   0.111436D+01 -0.180117D+01 -0.238818D+02  0.726972D+01  0.157861D+01
      2  -0.154082D+01  0.132132D+01  0.395024D+02 -0.117505D+02 -0.150120D+01
      3   0.426452D+00  0.479857D+00 -0.156206D+02  0.448078D+01 -0.774089D-01
      4  -0.132346D+01  0.467062D+01 -0.639753D+01  0.185318D+01 -0.251609D+01
      5   0.110454D+01 -0.182738D+00  0.331233D+01 -0.248638D+01  0.117061D+01
      6   0.283873D+01 -0.233655D-01 -0.155139D+02  0.115233D+02  0.461560D+00
               116           117           118           119           120 
      1   0.129295D+02 -0.855838D+01 -0.678121D+01 -0.229358D+01  0.824859D+00
      2  -0.178124D+02  0.890152D+01  0.527323D+01  0.866151D+00 -0.207366D+00
      3   0.488287D+01 -0.343145D+00  0.150797D+01  0.142743D+01 -0.617493D+00
      4   0.254646D+01 -0.132997D+01 -0.230690D+00 -0.341909D+01 -0.319263D+00
      5  -0.302970D+01  0.209540D+01  0.675765D+00 -0.474348D-01 -0.180386D+01
      6   0.144377D+02 -0.108352D+02 -0.417307D+00 -0.470499D+00 -0.650500D+00
               121           122           123           124           125 
      1  -0.116501D+02 -0.560608D+01  0.621299D+00  0.114443D+01 -0.244660D+00
      2   0.715630D+01  0.897690D+01 -0.703033D+00 -0.948006D+00  0.178082D+00
      3   0.449382D+01 -0.337081D+01  0.817341D-01 -0.196420D+00  0.665780D-01
      4   0.176448D+01 -0.156340D+02 -0.359870D+00 -0.740199D-01  0.107159D+01
      5   0.677887D+00  0.149554D+00 -0.476146D+01  0.207293D+01 -0.173336D+01
      6  -0.160566D+00 -0.814264D+00  0.113607D+01 -0.252215D+00  0.314802D+01
               126 
      1  -0.823714D+00
      2  -0.142889D+00
      3   0.966602D+00
      4  -0.150174D+01
      5  -0.936244D+00
      6   0.309384D+00
 Leave Link  716 at Fri Aug 13 11:03:05 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.658255D+02 -0.273758D+01 -0.350272D+00
      2  -0.273758D+01  0.653241D+02  0.416617D+00
      3  -0.350272D+00  0.416617D+00  0.482690D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.150890D+01 -0.243313D+01 -0.138395D+02
      2   0.709762D+00  0.249173D+01  0.855654D+01
      3   0.109486D+02  0.405854D+01 -0.123976D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.142517D+01 -0.203638D+02 -0.413445D+01
      2   0.335920D+01  0.303798D+02 -0.420224D+00
      3  -0.193403D+01 -0.100160D+02  0.455468D+01
      4   0.191567D+02  0.645624D+01  0.593846D+01
      5   0.304680D+01  0.446385D+01  0.160798D+02
      6   0.201800D+01  0.237873D+01  0.324838D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.319232D+01  0.902747D+00  0.185223D+01 -0.351353D+00 -0.499746D+01
      2   0.902747D+00 -0.230375D+01  0.669770D+00 -0.499746D+01 -0.405192D+01
      3   0.185223D+01  0.669770D+00  0.236172D+01 -0.151803D+00  0.853896D+00
                 6             7             8             9            10 
      1  -0.151803D+00  0.285148D+01  0.602409D-01  0.127169D+01 -0.378758D+01
      2   0.853896D+00  0.602409D-01  0.120131D+01 -0.106766D+01 -0.366861D+00
      3  -0.295652D+00  0.127169D+01 -0.106766D+01 -0.878904D+01 -0.132644D+01
                11            12            13            14            15 
      1  -0.366861D+00 -0.132644D+01 -0.138729D+01  0.359820D+01  0.224733D+00
      2   0.265426D+01  0.139958D-01  0.359820D+01  0.113931D+01 -0.114209D+00
      3   0.139958D-01 -0.154574D+01  0.224733D+00 -0.114209D+00  0.461704D+00
                16            17            18            19            20 
      1  -0.249938D+01  0.258758D+00 -0.121416D+01  0.783375D+00  0.217478D+00
      2   0.258758D+00 -0.192334D+00 -0.270609D+00  0.217478D+00 -0.488539D+01
      3  -0.121416D+01 -0.270609D+00  0.664871D+01  0.110050D-01  0.555256D-02
                21            22            23            24            25 
      1   0.110050D-01  0.249534D+01 -0.338333D+01 -0.738290D-01 -0.527731D+00
      2   0.555256D-02 -0.338333D+01  0.314390D+01 -0.427053D+00 -0.144263D+00
      3  -0.801865D+00 -0.738290D-01 -0.427053D+00  0.150122D+00 -0.419972D+00
                26            27            28            29            30 
      1  -0.144263D+00 -0.419972D+00 -0.731050D+01 -0.105771D+01  0.266233D+00
      2   0.355796D+00  0.125085D+00 -0.105771D+01  0.597574D+00 -0.190000D-01
      3   0.125085D+00 -0.561511D+00  0.266233D+00 -0.190000D-01 -0.103059D+01
                31            32            33            34            35 
      1  -0.335057D+01 -0.205055D+01  0.120229D+00  0.105188D+01  0.396579D+00
      2  -0.205055D+01 -0.557665D+01  0.291852D+00  0.396579D+00  0.425059D+00
      3   0.120229D+00  0.291852D+00 -0.198777D+00 -0.211283D+01 -0.153075D+00
                36            37            38            39            40 
      1  -0.211283D+01  0.760320D+01 -0.225429D+01 -0.110635D+01  0.698353D+00
      2  -0.153075D+00 -0.225429D+01  0.276599D+01 -0.811239D-01  0.440017D+01
      3   0.507264D+00 -0.110635D+01 -0.811239D-01  0.335682D+00 -0.107542D+00
                41            42            43            44            45 
      1   0.440017D+01 -0.107542D+00 -0.180906D+01  0.556697D+00  0.126813D+01
      2   0.950666D+00 -0.179527D+00  0.556697D+00 -0.832700D+00 -0.600769D+00
      3  -0.179527D+00  0.103486D+01  0.126813D+01 -0.600769D+00 -0.235625D+00
                46            47            48            49            50 
      1  -0.213508D+01  0.258528D+01  0.658972D+00  0.238838D+01 -0.308365D+01
      2   0.258528D+01 -0.313178D+01  0.316787D+00 -0.308365D+01 -0.200275D+01
      3   0.658972D+00  0.316787D+00 -0.847681D+00  0.268365D+00  0.918117D+00
                51            52            53            54            55 
      1   0.268365D+00  0.534873D+00  0.261015D+00 -0.894988D+00  0.434322D+01
      2   0.918117D+00  0.261015D+00  0.124771D+01 -0.240358D+01 -0.251018D+01
      3  -0.229717D+01 -0.894988D+00 -0.240358D+01 -0.350047D+01  0.129382D+00
                56            57            58            59            60 
      1  -0.251018D+01  0.129382D+00 -0.455282D+01  0.242524D+01  0.165159D-01
      2   0.261096D+01 -0.143227D+00  0.242524D+01 -0.119628D+02  0.372795D+00
      3  -0.143227D+00  0.134866D+01  0.165159D-01  0.372795D+00 -0.197273D+01
                61            62            63            64            65 
      1   0.407324D+00 -0.181696D+00  0.990868D+00  0.130499D+01  0.299587D+00
      2  -0.181696D+00  0.408295D+00 -0.294395D+01  0.299587D+00 -0.146160D+00
      3   0.990868D+00 -0.294395D+01  0.662118D+00 -0.101424D+01  0.252171D-01
                66            67            68            69            70 
      1  -0.101424D+01  0.213016D+00 -0.536166D+00 -0.286429D-01 -0.138339D+01
      2   0.252171D-01 -0.536166D+00  0.305859D+00 -0.986526D+00 -0.179910D-01
      3   0.127180D+01 -0.286429D-01 -0.986526D+00  0.149632D+00  0.659114D+00
                71            72            73            74            75 
      1  -0.179910D-01  0.659114D+00  0.287200D+01  0.202568D+01 -0.484171D+00
      2  -0.175709D+01  0.675306D+00  0.202568D+01  0.238637D+01 -0.149728D+00
      3   0.675306D+00 -0.826624D+01 -0.484171D+00 -0.149728D+00  0.550671D+00
                76            77            78            79            80 
      1   0.314709D+01  0.330745D+01  0.463635D-02 -0.109769D+01 -0.390071D+00
      2   0.330745D+01  0.672161D+01 -0.507373D+00 -0.390071D+00 -0.128621D+01
      3   0.463635D-02 -0.507373D+00  0.828484D+00  0.592359D+00  0.985292D+00
                81            82            83            84            85 
      1   0.592359D+00 -0.689530D+00  0.196945D+00  0.104402D+01 -0.311453D+00
      2   0.985292D+00  0.196945D+00  0.687808D-01 -0.330299D+00  0.465610D+00
      3   0.294641D+00  0.104402D+01 -0.330299D+00 -0.130445D+01 -0.519948D-01
                86            87            88            89            90 
      1   0.465610D+00 -0.519948D-01  0.171075D+01 -0.287409D+00  0.171794D+00
      2   0.369495D+00  0.102522D+01 -0.287409D+00  0.139593D+01  0.973417D+00
      3   0.102522D+01 -0.417095D+00  0.171794D+00  0.973417D+00  0.949626D+01
                91            92            93            94            95 
      1  -0.307288D+01  0.909305D+00 -0.130460D+00  0.343996D+01  0.321823D+00
      2   0.909305D+00 -0.851611D+00 -0.170991D-01  0.321823D+00  0.558316D+01
      3  -0.130460D+00 -0.170991D-01 -0.849576D+00 -0.248490D+00 -0.234619D+00
                96            97            98            99           100 
      1  -0.248490D+00 -0.252100D+00 -0.124416D+00 -0.809186D+00 -0.491439D+00
      2  -0.234619D+00 -0.124416D+00 -0.447009D+00  0.136878D+00 -0.517606D-01
      3   0.410066D+00 -0.809186D+00  0.136878D+00  0.422946D-02  0.120747D+00
               101           102           103           104           105 
      1  -0.517606D-01  0.120747D+00  0.157836D+00 -0.112489D+00 -0.267254D-01
      2   0.289472D+00  0.175402D+00 -0.112489D+00  0.213333D+01  0.138571D+01
      3   0.175402D+00  0.299963D+00 -0.267254D-01  0.138571D+01  0.151111D+01
               106           107           108           109           110 
      1   0.140093D+01 -0.266349D+00 -0.128811D-01 -0.367529D+00  0.257728D+00
      2  -0.266349D+00  0.316618D+01  0.278756D+01  0.257728D+00  0.735727D+00
      3  -0.128811D-01  0.278756D+01  0.588455D+01 -0.205890D+00 -0.312757D+00
               111           112           113           114           115 
      1  -0.205890D+00  0.894388D+00  0.179692D+00 -0.995189D-01 -0.920156D+00
      2  -0.312757D+00  0.179692D+00  0.777949D+01 -0.220404D+01 -0.284128D+00
      3   0.444301D+00 -0.995189D-01 -0.220404D+01  0.188436D+01  0.103927D+00
               116           117           118           119           120 
      1  -0.284128D+00  0.103927D+00 -0.224457D+01 -0.115395D+01  0.184965D+00
      2  -0.410433D+01  0.223398D+01 -0.115395D+01 -0.790430D+00 -0.153491D+00
      3   0.223398D+01 -0.193046D+01  0.184965D+00 -0.153491D+00 -0.232890D+00
               121           122           123           124           125 
      1  -0.348087D+01 -0.534526D+00  0.154066D+00  0.532267D+00  0.163035D+00
      2  -0.534526D+00 -0.453268D+01 -0.194243D+00  0.163035D+00  0.419385D+00
      3   0.154066D+00 -0.194243D+00 -0.124892D+01  0.406133D+00 -0.477865D+00
               126 
      1   0.406133D+00
      2  -0.477865D+00
      3  -0.214423D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.289261D+01 -0.277547D+01 -0.363342D+01 -0.241059D+01 -0.303659D+01
      2   0.395527D+01  0.137374D+01  0.359503D+01 -0.185260D+00  0.263840D+01
      3   0.478180D+01  0.460967D+01  0.108147D+01  0.110223D+02  0.559762D+00
                 6             7             8             9            10 
      1   0.564301D+00 -0.163652D+01  0.220250D+01  0.824787D+01  0.202638D+01
      2   0.122671D+01 -0.166986D+01 -0.133727D+01 -0.102569D+02 -0.808902D+00
      3  -0.177808D+01  0.222494D+01 -0.131065D+01  0.286772D+01 -0.293962D+01
                11            12            13            14            15 
      1  -0.670782D+00 -0.144003D+00 -0.274059D+01  0.775454D+00 -0.260075D+01
      2  -0.111030D+01  0.101747D+01  0.178247D+01  0.945459D+00  0.275764D+01
      3  -0.468002D+01 -0.129860D+01  0.369865D+00 -0.183643D+01  0.654903D+00
                16            17            18            19            20 
      1   0.100692D+01  0.375632D+01 -0.143497D+01  0.123037D+00  0.166230D+01
      2  -0.490178D+01  0.143248D+01  0.902298D+00 -0.566267D+00 -0.200280D+01
      3  -0.381692D+01  0.371182D+00 -0.893556D+00  0.922207D+00 -0.582585D+01
                21            22            23            24            25 
      1  -0.202516D+01  0.232346D+01  0.270435D+01  0.798389D+01  0.321484D+01
      2  -0.632555D+01 -0.271177D+01  0.424761D+00  0.502479D+00 -0.137466D+02
      3   0.148035D+01 -0.654695D+01  0.240245D+01 -0.109489D+01  0.393679D+01
                26            27            28            29            30 
      1   0.130584D+02 -0.249041D+01  0.548440D+00 -0.670093D-01 -0.231565D+00
      2  -0.469069D+01  0.202931D+01 -0.134455D+01 -0.344105D+00  0.836006D+01
      3  -0.767400D+00  0.927676D+00  0.313554D+01 -0.422227D+01 -0.292824D+00
                31            32            33            34            35 
      1  -0.690504D+00 -0.115010D+01 -0.330262D+01 -0.310052D+01 -0.402459D-01
      2   0.107122D+01 -0.588350D+00  0.232293D+01  0.309023D+01  0.331428D+01
      3   0.360824D+00 -0.207267D+02  0.897624D+00 -0.471833D+00  0.241732D+01
                36            37            38            39            40 
      1   0.649382D+00  0.463370D-02 -0.145281D+00  0.321733D+01  0.177567D+00
      2  -0.184038D+01 -0.235090D+01  0.132816D+01  0.583337D+01 -0.492760D-01
      3   0.121948D+01 -0.314366D+01 -0.171117D+02 -0.100889D+01 -0.122368D+02
                41            42            43            44            45 
      1  -0.152354D+01 -0.432875D+01 -0.346876D+00  0.380245D+01 -0.140022D+01
      2  -0.653696D+00 -0.477446D+00 -0.123795D+00 -0.889322D+00 -0.185452D+01
      3  -0.528466D+01  0.806836D+00  0.263991D+00  0.277924D+01  0.141251D+01
                46            47            48            49            50 
      1  -0.128515D+01  0.269612D+00  0.240448D+01  0.508151D+00 -0.496459D+01
      2  -0.124003D+01  0.161877D+01  0.649999D+01  0.591660D-01 -0.255555D+01
      3   0.848419D-01 -0.517860D+01  0.901061D+00  0.583577D+01 -0.891700D+01
                51            52            53            54            55 
      1   0.988119D+00  0.152429D+01  0.998248D+01  0.615507D+01 -0.235535D+00
      2   0.200085D+01 -0.110864D+01  0.401059D+01  0.424574D+01  0.388474D+00
      3   0.161878D+01  0.137705D+01  0.253687D+01 -0.530537D+01 -0.825428D+01
                56            57            58            59            60 
      1  -0.783230D+00  0.204099D+01  0.293516D+00  0.825419D+00 -0.108400D+02
      2   0.801971D+00  0.395004D+01 -0.123530D+00 -0.897538D+00 -0.114398D+01
      3   0.652156D+00 -0.565764D+00  0.171859D+02 -0.712541D+01  0.489617D+00
                61            62            63            64            65 
      1  -0.985460D+00 -0.177176D+01  0.182107D+01  0.342005D+00 -0.258493D+00
      2  -0.190770D+01  0.382504D+01 -0.520185D+00  0.118941D+01  0.224079D+00
      3  -0.261691D+01 -0.215035D+00 -0.360443D+01  0.770392D+00 -0.428936D+00
                66            67            68            69            70 
      1  -0.394581D+00  0.276031D+00 -0.358518D+00 -0.167590D+00 -0.666264D+00
      2   0.108163D+01 -0.255757D-01 -0.249490D+00 -0.376463D+00 -0.230014D+01
      3  -0.725712D+00  0.160089D+01 -0.226782D+00  0.732711D-01 -0.702179D+00
                71            72            73            74            75 
      1   0.273549D+01  0.412824D+01  0.160117D+01  0.146168D+01 -0.130840D+01
      2   0.473618D+00 -0.541924D+00 -0.122593D+01 -0.813771D+00  0.199689D+01
      3   0.333594D+00  0.112600D+00  0.192168D+00 -0.360144D+01 -0.314214D+00
                76            77            78            79            80 
      1   0.108551D+01  0.304669D+01 -0.349491D+01 -0.565998D+00 -0.417897D+00
      2  -0.310349D+00 -0.135101D+01  0.222741D+01  0.129106D+00  0.134247D+01
      3   0.432624D+00 -0.837097D+01  0.104854D+01 -0.128488D+01  0.171548D+01
                81            82            83            84            85 
      1   0.293970D+00 -0.529841D+00  0.167145D-01  0.929086D+00  0.222930D+00
      2   0.920423D-01  0.259083D+01 -0.835437D+00 -0.105162D+01 -0.127914D+00
      3  -0.838374D+00 -0.138954D+01 -0.661553D+00  0.114058D+01 -0.709118D-01
                86            87            88            89            90 
      1  -0.670680D+00  0.149990D+00 -0.183188D+00  0.366436D+01 -0.765717D+01
      2   0.126368D+01 -0.501261D+00 -0.466132D+01  0.169381D+01  0.130688D+02
      3  -0.226975D-01 -0.124564D+01  0.175145D+01 -0.240579D+01 -0.189536D+01
                91            92            93            94            95 
      1   0.332472D+00  0.177514D+00  0.122506D+01  0.107471D+00  0.132556D+01
      2   0.951625D-01 -0.103774D+00  0.113005D+01 -0.144265D+00  0.426633D+00
      3  -0.361554D+00 -0.329402D+01 -0.199517D+00  0.185921D+00  0.228111D+02
                96            97            98            99           100 
      1   0.118532D+01  0.486488D+00  0.261951D+01 -0.474988D-01 -0.260944D+00
      2  -0.209324D+01 -0.165198D+00 -0.116278D+01  0.322854D+00 -0.100970D+01
      3  -0.718182D+00  0.113943D+00 -0.171662D+01 -0.280059D+00 -0.839692D+00
               101           102           103           104           105 
      1   0.269749D+00 -0.844446D+00  0.329522D+00 -0.215244D+01 -0.395087D+01
      2  -0.572517D-01 -0.428639D+00 -0.523270D-01 -0.183087D+01 -0.196634D+01
      3  -0.780622D+00  0.137734D+00  0.805949D+00  0.198102D+01  0.135674D+01
               106           107           108           109           110 
      1  -0.330269D+00 -0.371090D+01 -0.117657D+02 -0.140555D+00  0.435884D+00
      2  -0.318266D+01 -0.313616D+01 -0.657137D+01  0.354826D+00  0.536069D+00
      3   0.356965D+01  0.251665D+01  0.317718D+01 -0.336737D+00  0.465034D+00
               111           112           113           114           115 
      1  -0.125833D+01 -0.294547D-01  0.366390D+01 -0.502888D+01 -0.298685D+00
      2  -0.404726D+00  0.905711D+00  0.304125D+01 -0.197994D+01 -0.135947D+01
      3  -0.628538D+00  0.435627D+01  0.859199D+01 -0.260005D+01 -0.339178D+01
               116           117           118           119           120 
      1  -0.327662D+01  0.396270D+01  0.366488D+00  0.406810D+00  0.229683D-01
      2  -0.279367D+01  0.157216D+01 -0.202699D+00 -0.407279D+00 -0.111849D+01
      3  -0.517880D+01  0.273251D+01  0.874658D+01  0.739335D+01  0.848098D-01
               121           122           123           124           125 
      1   0.721979D+00  0.130701D+01 -0.129273D+01  0.512802D+00  0.606945D-01
      2  -0.882963D-01 -0.613667D+00 -0.249934D+01 -0.100876D+01 -0.713566D+00
      3   0.961500D+01  0.147956D+02  0.315939D+00 -0.953321D+00 -0.107603D+01
               126 
      1  -0.254268D+00
      2  -0.473330D+00
      3   0.367466D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.160894D+01  0.113740D+01 -0.179946D+01  0.728323D+01 -0.594834D+01
      2  -0.330032D+01 -0.503898D+01 -0.423253D+01 -0.114494D+02 -0.975133D+01
      3   0.490925D+01  0.390158D+01  0.603198D+01  0.416613D+01  0.156997D+02
      4   0.367052D+01 -0.115118D+02  0.529113D+01 -0.192391D+02 -0.200630D+02
      5   0.799088D+01  0.120335D+01  0.235703D+01 -0.232362D+01  0.246840D+01
      6   0.388113D+01  0.337812D+01  0.729106D+01 -0.582904D+00 -0.597685D+00
                 6             7             8             9            10 
      1   0.156787D+01  0.606633D+01  0.198605D+01  0.164229D+02 -0.433168D+01
      2   0.424448D+01 -0.440570D+01  0.207332D+01  0.677344D+01  0.391221D+01
      3  -0.581235D+01 -0.166063D+01 -0.405937D+01 -0.231964D+02  0.419471D+00
      4   0.199276D+01  0.155854D+01  0.430332D+01 -0.263238D+01 -0.133446D+01
      5   0.323552D+01  0.294169D+01 -0.178191D+01 -0.166899D+02 -0.268426D+01
      6  -0.339465D+01  0.241324D+01 -0.670991D+00 -0.108524D+02 -0.289618D+01
                11            12            13            14            15 
      1  -0.679890D+01 -0.863035D+00  0.284348D+01 -0.770493D+00  0.147297D+01
      2   0.118359D+02  0.462366D+00  0.235431D+01  0.784987D+00 -0.187460D+00
      3  -0.503701D+01  0.400669D+00 -0.519779D+01 -0.144939D-01 -0.128551D+01
      4  -0.291890D+01 -0.341179D+01 -0.576308D+01  0.972039D+01  0.121016D+01
      5  -0.108093D+01 -0.176046D+01  0.920189D+00  0.133896D+01  0.350221D+01
      6  -0.958868D+00 -0.155974D+01  0.155256D+00 -0.359101D+00  0.139013D+00
                16            17            18            19            20 
      1  -0.133064D+01 -0.594141D+00  0.603846D+01 -0.151787D+02 -0.847577D+01
      2  -0.728819D+00 -0.545242D+01  0.939729D+01  0.920185D+01  0.112061D+02
      3   0.205945D+01  0.604656D+01 -0.154358D+02  0.597684D+01 -0.273033D+01
      4  -0.566938D+01 -0.153927D-01 -0.267361D+01  0.138445D+00  0.373571D+00
      5  -0.806334D+00 -0.129602D+01  0.571586D+01  0.132321D+01 -0.986233D+00
      6  -0.318804D+01 -0.234572D+00  0.806762D+01  0.291897D+00 -0.765796D+00
                21            22            23            24            25 
      1   0.845492D+00  0.224375D+01  0.221221D+02 -0.253980D+01  0.110005D+01
      2  -0.192067D+01 -0.580254D+00 -0.314351D+02 -0.589024D+00 -0.131834D+01
      3   0.107518D+01 -0.166349D+01  0.931300D+01  0.312883D+01  0.218294D+00
      4  -0.257316D+00 -0.932616D+01  0.375343D+01 -0.564489D+00  0.328029D+01
      5  -0.103436D+02 -0.690120D+00 -0.130409D+01  0.244624D+01  0.367227D+01
      6   0.447404D+01 -0.441807D+00 -0.428110D+00 -0.986708D+01 -0.288206D+00
                26            27            28            29            30 
      1  -0.484191D+01 -0.415307D+01  0.440946D+02  0.504343D+01 -0.140894D+01
      2   0.447155D+01 -0.751313D+01 -0.271543D+02 -0.264941D+01  0.165226D+01
      3   0.370356D+00  0.116662D+02 -0.169403D+02 -0.239402D+01 -0.243328D+00
      4   0.101168D+01  0.822136D+00  0.125339D+02  0.790136D+01  0.746581D+00
      5  -0.135707D+01  0.217708D+01 -0.198450D+01  0.726131D+00  0.161883D+02
      6   0.239341D+01  0.296073D+01  0.594634D+00  0.824450D+00  0.963521D+00
                31            32            33            34            35 
      1   0.110872D+02  0.474259D+01  0.449201D+00 -0.211255D+01  0.714566D+00
      2  -0.607919D+01 -0.106705D+00 -0.144970D-01  0.232468D+01  0.508714D+00
      3  -0.500803D+01 -0.463589D+01 -0.434704D+00 -0.212122D+00 -0.122328D+01
      4   0.158714D+02  0.174636D+02 -0.809825D+00 -0.546917D+00 -0.127443D+01
      5   0.743486D-01 -0.133262D+01  0.267425D+01  0.141643D+02  0.156285D+01
      6  -0.236884D+00 -0.583086D+00  0.602615D+01  0.391759D+01  0.462190D+01
                36            37            38            39            40 
      1   0.553135D+01  0.434783D+02 -0.551334D+01 -0.170378D+01 -0.304514D+01
      2  -0.770473D+01 -0.266220D+02  0.120921D-01  0.406013D+01  0.140840D+00
      3   0.217337D+01 -0.168563D+02  0.550125D+01 -0.235635D+01  0.290430D+01
      4   0.403381D+01 -0.122854D+02  0.153177D+02 -0.488719D+00  0.176830D+02
      5  -0.338955D+01 -0.563694D+01  0.254703D+00  0.111388D+02  0.858561D+00
      6  -0.882769D+00 -0.597649D+00 -0.102013D+01 -0.425390D+01  0.347036D-01
                41            42            43            44            45 
      1   0.110796D+02 -0.394412D+01 -0.724536D+01  0.340560D+00  0.153250D+01
      2  -0.323253D+01 -0.671903D+00  0.569356D+01  0.512381D+00 -0.787533D+01
      3  -0.784702D+01  0.461603D+01  0.155180D+01 -0.852941D+00  0.634283D+01
      4   0.487422D+00 -0.121357D+01  0.275884D+01 -0.318885D+01 -0.256198D+01
      5  -0.212467D+01 -0.133248D+01  0.122191D+02 -0.434148D+01 -0.448903D+01
      6   0.217336D+01  0.852865D+01 -0.222910D+01  0.456260D+01  0.254367D+01
                46            47            48            49            50 
      1   0.355319D+01  0.683547D+01 -0.192411D+01  0.527794D+00  0.104605D+02
      2   0.558243D+01 -0.124274D+02  0.166388D+01 -0.688531D+01 -0.881212D+01
      3  -0.913563D+01  0.559193D+01  0.260229D+00  0.635752D+01 -0.164836D+01
      4  -0.481180D+01  0.180426D+02  0.239744D+01  0.180606D+02 -0.896834D+01
      5  -0.461575D+00  0.113344D+01  0.720345D+01 -0.330098D+00 -0.291557D+01
      6   0.225822D+01  0.208336D+01 -0.547985D+01  0.708530D+00  0.755132D+01
                51            52            53            54            55 
      1  -0.161580D+01 -0.226633D+01 -0.259415D+01  0.113880D+02 -0.621718D+00
      2   0.678672D+01  0.122452D+01  0.885983D+01 -0.124445D+02  0.497649D+01
      3  -0.517092D+01  0.104182D+01 -0.626568D+01  0.105646D+01 -0.435477D+01
      4  -0.140203D+01  0.120846D+01 -0.249327D+01 -0.189210D+01 -0.662894D+01
      5   0.154049D+01  0.668131D+01  0.356701D+01  0.456153D+01  0.911383D-01
      6  -0.738701D+01 -0.365659D+01 -0.106139D+02 -0.129958D+02 -0.456926D+00
                56            57            58            59            60 
      1   0.756170D+01 -0.857125D+00  0.530329D+01 -0.393150D+02  0.888176D+00
      2  -0.108283D+02  0.450019D+00 -0.683355D+01  0.586971D+02 -0.558270D-01
      3   0.326658D+01  0.407106D+00  0.153026D+01 -0.193822D+02 -0.832349D+00
      4   0.130361D+02 -0.609959D+00  0.164192D+02  0.158608D+01  0.279382D+00
      5  -0.316238D+00  0.593441D+01 -0.237322D+00  0.644951D+00 -0.985626D+00
      6   0.607106D+00 -0.427822D+01  0.544352D+00 -0.136587D-01  0.175206D+02
                61            62            63            64            65 
      1   0.111886D+00  0.292383D+01 -0.969867D+01  0.888013D+00  0.733541D+00
      2   0.315548D+00 -0.213877D+01  0.781046D+01 -0.428326D+01 -0.104835D+01
      3  -0.427433D+00 -0.785056D+00  0.188821D+01  0.339525D+01  0.314805D+00
      4  -0.148864D+01 -0.965033D-01  0.520822D+00  0.104993D+01  0.211323D+01
      5   0.331410D+01  0.278065D+01 -0.105591D+00 -0.131565D+01 -0.273424D+00
      6  -0.318284D+01  0.159695D+02 -0.292617D+01 -0.145910D+01 -0.390506D+00
                66            67            68            69            70 
      1   0.854022D+00  0.443977D+00 -0.329257D+01  0.280270D+00  0.404253D+00
      2   0.161534D+01  0.324817D+00  0.673245D+00 -0.134650D+01  0.236174D+01
      3  -0.246936D+01 -0.768794D+00  0.261932D+01  0.106623D+01 -0.276599D+01
      4  -0.119080D+01  0.236746D+01  0.144310D+00 -0.541351D+00 -0.124779D+01
      5   0.688555D+01 -0.120033D+00 -0.116238D+01 -0.553958D+00  0.480169D+01
      6   0.140083D+01 -0.822246D+00 -0.897202D+00  0.614924D+01  0.121463D+01
                71            72            73            74            75 
      1   0.245783D+01 -0.158389D+02  0.108678D+02  0.555915D+01 -0.133965D+01
      2  -0.177209D+00 -0.160777D+02 -0.802094D+00  0.220277D+01 -0.771783D-01
      3  -0.228062D+01  0.319166D+02 -0.100658D+02 -0.776192D+01  0.141682D+01
      4   0.426043D+00  0.100702D+01  0.153682D+02  0.159067D+02 -0.130792D+01
      5   0.773825D+00 -0.450088D+01 -0.749425D+00  0.374855D-02  0.327135D+01
      6   0.529598D+01 -0.108654D+02 -0.598292D+00 -0.106213D+00  0.179867D+01
                76            77            78            79            80 
      1   0.556669D+01 -0.267074D+01  0.486609D+00 -0.285794D+01  0.832329D+00
      2   0.467911D+01  0.203320D+02 -0.200220D+01  0.713797D+00 -0.321033D+01
      3  -0.102458D+02 -0.176613D+02  0.151559D+01  0.214414D+01  0.237800D+01
      4   0.199807D+02  0.305426D+02 -0.205111D+01 -0.339929D+01 -0.481663D+01
      5   0.620135D+00 -0.880971D+00  0.365550D+01  0.365532D+01  0.413942D+01
      6   0.882443D+00  0.271183D+00  0.446175D+01  0.240440D+01  0.465760D+01
                81            82            83            84            85 
      1  -0.163520D+01 -0.191070D+01  0.133744D+01  0.598497D+01 -0.136198D+01
      2   0.200305D+00 -0.136804D+01  0.366147D+00 -0.143132D+01  0.185769D+01
      3   0.143490D+01  0.327874D+01 -0.170359D+01 -0.455365D+01 -0.495712D+00
      4   0.474137D+01  0.206888D+00  0.272086D+01  0.297793D+00  0.307843D+01
      5  -0.180234D+00  0.184839D+01 -0.775441D-01  0.384523D+01 -0.223418D+00
      6  -0.108595D+01  0.734344D+00 -0.154539D+01 -0.242080D+01 -0.108746D-02
                86            87            88            89            90 
      1  -0.169370D+01 -0.111771D+01  0.521942D+01 -0.388130D+01 -0.207823D+02
      2   0.166322D+00  0.179812D+01 -0.297413D+01  0.158333D+01 -0.155112D+02
      3   0.152738D+01 -0.680410D+00 -0.224529D+01  0.229797D+01  0.362934D+02
      4   0.234796D+01  0.228684D+01  0.135756D+01  0.351994D+01  0.407063D+01
      5   0.216881D+01 -0.135670D+01  0.598635D+01  0.237224D+01  0.223249D+02
      6   0.121145D+01  0.553191D+01  0.264156D+00  0.621276D+01  0.114474D+02
                91            92            93            94            95 
      1   0.120734D+02 -0.466916D+01  0.358751D+00 -0.152090D+02 -0.102444D+01
      2  -0.675763D+01  0.203135D+01 -0.304478D+00  0.101990D+02  0.850122D+00
      3  -0.531582D+01  0.263781D+01 -0.542728D-01  0.501003D+01  0.174323D+00
      4  -0.849917D+01  0.365639D+01 -0.407225D+00 -0.200130D+01 -0.158515D+02
      5   0.215678D+00  0.137794D-02  0.250076D+01  0.593256D+00  0.104050D+01
      6  -0.241074D+00 -0.194020D+00 -0.185510D+01 -0.319363D+00  0.673882D+00
                96            97            98            99           100 
      1   0.449923D+00  0.107533D+01  0.478548D+00  0.176912D+01  0.202551D+01
      2  -0.576478D+00 -0.694571D+00 -0.579055D+00 -0.250554D+01 -0.212897D+01
      3   0.126555D+00 -0.380764D+00  0.100507D+00  0.736415D+00  0.103458D+00
      4   0.250464D+00  0.417546D+00  0.104657D+01 -0.156806D+01 -0.181123D+01
      5  -0.311052D+01  0.432399D+01 -0.110305D+01  0.370359D+00  0.755280D+00
      6  -0.222174D+01 -0.732146D+00  0.795601D+00  0.134023D+00  0.579946D+00
               101           102           103           104           105 
      1  -0.142081D+01 -0.553395D+00 -0.406961D+00 -0.775100D+01 -0.454635D+01
      2   0.141001D+01  0.438741D-01  0.144198D+00  0.104535D+02  0.562360D+01
      3   0.108003D-01  0.509521D+00  0.262763D+00 -0.270250D+01 -0.107725D+01
      4   0.125100D+01  0.100013D+01  0.225928D+01 -0.186896D+01 -0.128081D+01
      5   0.554285D+00  0.174753D+01  0.362971D+00 -0.140319D+01 -0.246708D+01
      6   0.918920D+00  0.173125D+01 -0.873350D-01  0.774243D+01  0.101228D+02
               106           107           108           109           110 
      1  -0.653970D+00 -0.107848D+02 -0.133715D+02  0.121943D+01 -0.268667D+01
      2   0.170443D+00  0.109052D+02  0.451261D+01 -0.413340D+00  0.388694D+01
      3   0.483527D+00 -0.120396D+00  0.885885D+01 -0.806088D+00 -0.120027D+01
      4   0.436090D+01 -0.204053D+01 -0.103595D+01 -0.103734D+00  0.285444D+01
      5   0.162820D+01 -0.329098D+01 -0.730404D+01 -0.418253D+00 -0.678606D+00
      6   0.115968D+00  0.147486D+02  0.253974D+02 -0.167364D+01 -0.236053D+01
               111           112           113           114           115 
      1   0.111436D+01 -0.180117D+01 -0.238818D+02  0.726972D+01  0.157861D+01
      2  -0.154082D+01  0.132132D+01  0.395024D+02 -0.117505D+02 -0.150120D+01
      3   0.426452D+00  0.479857D+00 -0.156206D+02  0.448078D+01 -0.774089D-01
      4  -0.132346D+01  0.467062D+01 -0.639753D+01  0.185318D+01 -0.251609D+01
      5   0.110454D+01 -0.182738D+00  0.331233D+01 -0.248638D+01  0.117061D+01
      6   0.283873D+01 -0.233655D-01 -0.155139D+02  0.115233D+02  0.461560D+00
               116           117           118           119           120 
      1   0.129295D+02 -0.855838D+01 -0.678121D+01 -0.229358D+01  0.824859D+00
      2  -0.178124D+02  0.890152D+01  0.527323D+01  0.866151D+00 -0.207366D+00
      3   0.488287D+01 -0.343145D+00  0.150797D+01  0.142743D+01 -0.617493D+00
      4   0.254646D+01 -0.132997D+01 -0.230690D+00 -0.341909D+01 -0.319263D+00
      5  -0.302970D+01  0.209540D+01  0.675765D+00 -0.474348D-01 -0.180386D+01
      6   0.144377D+02 -0.108352D+02 -0.417307D+00 -0.470499D+00 -0.650500D+00
               121           122           123           124           125 
      1  -0.116501D+02 -0.560608D+01  0.621299D+00  0.114443D+01 -0.244660D+00
      2   0.715630D+01  0.897690D+01 -0.703033D+00 -0.948006D+00  0.178082D+00
      3   0.449382D+01 -0.337081D+01  0.817341D-01 -0.196420D+00  0.665780D-01
      4   0.176448D+01 -0.156340D+02 -0.359870D+00 -0.740199D-01  0.107159D+01
      5   0.677887D+00  0.149554D+00 -0.476146D+01  0.207293D+01 -0.173336D+01
      6  -0.160566D+00 -0.814264D+00  0.113607D+01 -0.252215D+00  0.314802D+01
               126 
      1  -0.823714D+00
      2  -0.142889D+00
      3   0.966602D+00
      4  -0.150174D+01
      5  -0.936244D+00
      6   0.309384D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.198323D+01      0.504088D+01      0.168146D+02
   x         -0.390960D+00     -0.993720D+00     -0.331469D+01
   y          0.194418D+01      0.494162D+01      0.164835D+02
   z          0.227264D-01      0.577646D-01      0.192682D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547268D+02      0.810968D+01      0.902323D+01
   aniso      0.169324D+02      0.250912D+01      0.279177D+01
   xx         0.601322D+02      0.891067D+01      0.991446D+01
   yx        -0.253902D+01     -0.376243D+00     -0.418627D+00
   yy         0.602054D+02      0.892151D+01      0.992652D+01
   zx        -0.455055D+00     -0.674321D-01     -0.750284D-01
   zy         0.262462D+00      0.388928D-01      0.432741D-01
   zz         0.438429D+02      0.649685D+01      0.722872D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.598062D+02      0.886236D+01      0.986071D+01
   aniso      0.179737D+02      0.266342D+01      0.296346D+01
   xx         0.658255D+02      0.975434D+01      0.108532D+02
   yx        -0.273758D+01     -0.405668D+00     -0.451366D+00
   yy         0.653241D+02      0.968003D+01      0.107705D+02
   zx        -0.350272D+00     -0.519050D-01     -0.577521D-01
   zy         0.416617D+00      0.617363D-01      0.686909D-01
   zz         0.482690D+02      0.715272D+01      0.795848D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.88758838         -0.04873937          0.60878486
     6          0.13134855          0.70920869          1.10429614
     6         -1.59976404         -0.25064167         -1.01865767
     8         -3.88545884         -0.96728290         -0.24887032
     8          3.87537404          1.04517558         -1.60149348
     7         -0.86548230         -0.12399515          3.55096411
     8         -0.96056605         -0.32831644         -3.20653688
     1          0.01835313          2.77115470          1.02394158
     1          4.04378731          0.60905830          2.18617115
     1          3.00934959         -2.12538414          0.56091907
     1         -3.85292632         -0.80126631          1.60414851
     1         -0.12026323         -1.81257494          4.07002183
     1         -0.49306375          1.13378119          4.93984754
     1          2.70331611          0.63760943         -2.95313765

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.198323D+01      0.504088D+01      0.168146D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.198323D+01      0.504088D+01      0.168146D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547268D+02      0.810968D+01      0.902323D+01
   aniso      0.169324D+02      0.250912D+01      0.279177D+01
   xx         0.584162D+02      0.865638D+01      0.963153D+01
   yx         0.329939D+01      0.488919D+00      0.543996D+00
   yy         0.445747D+02      0.660528D+01      0.734937D+01
   zx        -0.225689D+01     -0.334437D+00     -0.372111D+00
   zy        -0.605039D+00     -0.896576D-01     -0.997575D-01
   zz         0.611897D+02      0.906737D+01      0.100888D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.598062D+02      0.886236D+01      0.986071D+01
   aniso      0.179737D+02      0.266342D+01      0.296346D+01
   xx         0.640177D+02      0.948644D+01      0.105551D+02
   yx         0.339986D+01      0.503807D+00      0.560561D+00
   yy         0.489906D+02      0.725966D+01      0.807746D+01
   zx        -0.251987D+01     -0.373406D+00     -0.415470D+00
   zy        -0.781717D+00     -0.115838D+00     -0.128888D+00
   zz         0.664104D+02      0.984100D+01      0.109496D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-03\Freq\RwB97XD\Gen\C3H7N1O3\PIERPA\13-Aug-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,1.400902,0.
 606476,0.330203\C,0.023343,0.604862,-0.347509\C,-0.73311,-0.696797,-0.
 043039\O,-2.048935,-0.547476,0.094953\O,2.244705,-0.411378,-0.147633\N
 ,-0.823363,1.751312,-0.004429\O,-0.187475,-1.7692,0.050668\H,0.182702,
 0.606179,-1.429434\H,1.891186,1.559018,0.119143\H,1.257893,0.539142,1.
 41989\H,-2.208899,0.421463,0.023461\H,-0.669033,2.051352,0.952422\H,-0
 .651577,2.542659,-0.609638\H,1.748102,-1.241813,-0.066668\\Version=ES6
 4L-G16RevA.03\State=1-A\HF=-399.1561993\RMSD=8.186e-09\RMSF=3.314e-05\
 ZeroPoint=0.1139143\Thermal=0.1211396\Dipole=-0.3909596,1.9441833,0.02
 27264\DipoleDeriv=0.5240768,-0.1452984,-0.0997982,-0.213673,0.4969457,
 0.117846,-0.059239,0.1189806,0.4385327,0.0818573,-0.1486668,0.0508929,
 -0.2735032,0.2814272,0.0723611,-0.0401555,0.1514376,0.1364058,1.590006
 8,-0.366387,-0.0977104,-0.2574359,1.29896,-0.1158384,-0.1539074,-0.154
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 THAT'S WHAT MAKES US A GREAT COUNTRY.
 THE LITTLE THINGS ARE SERIOUS AND THE BIG ONES ARE NOT.
           WILL ROGERS
 Job cpu time:       0 days  2 hours  7 minutes 22.2 seconds.
 Elapsed time:       0 days  0 hours 15 minutes 57.6 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:03:06 2021.
